#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rkx s ASN 3 N 0.00 6.30 0.38 4.38 -0.87 -1.26 -4.88 114.94 119.00 1rkx s ASN 3 Ca 0.00 -0.35 0.09 0.00 -1.57 0.00 0.00 52.86 51.04 1rkx s ASN 3 Cb 0.00 -2.49 0.85 0.00 -0.02 0.00 0.00 41.25 39.58 1rkx s ASN 3 CO 0.00 -1.46 1.93 -1.13 -2.57 0.00 0.00 177.10 173.87 1rkx h ASN 4 N 9.57 0.58 0.96 -1.22 -1.24 -2.01 0.91 115.58 123.13 1rkx h ASN 4 Ca -0.27 0.02 -0.08 0.00 0.71 0.00 0.00 56.30 56.68 1rkx h ASN 4 Cb 1.06 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 40.00 1rkx h ASN 4 CO 1.17 0.34 -0.37 0.77 -1.29 0.00 0.00 177.43 178.05 1rkx h SER 5 N 0.64 0.00 -0.42 1.15 4.64 -1.89 -3.16 113.55 114.51 1rkx h SER 5 Ca 0.35 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.60 1rkx h SER 5 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 1rkx h SER 5 CO -0.13 0.37 -0.02 0.15 -0.87 0.00 0.00 176.83 176.33 1rkx h PHE 6 N 0.00 0.83 0.00 4.77 3.57 -1.20 -3.18 116.94 121.73 1rkx h PHE 6 Ca -0.00 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.34 1rkx h PHE 6 Cb 0.95 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.48 1rkx h PHE 6 CO 0.00 0.83 -0.02 -1.49 -2.23 0.00 0.00 178.31 175.40 1rkx h TRP 7 N 0.58 0.00 -2.08 0.41 4.06 -1.48 -3.43 115.95 114.01 1rkx h TRP 7 Ca 0.12 0.00 -0.61 0.00 2.06 0.00 0.00 58.89 60.46 1rkx h TRP 7 Cb 0.52 0.00 0.03 0.00 -1.00 0.00 0.00 29.16 28.71 1rkx h TRP 7 CO 0.04 0.02 0.98 0.94 -3.56 0.00 0.00 178.44 176.86 1rkx n GLN 8 N -3.12 2.11 0.00 0.49 -0.06 -1.15 -1.87 117.38 113.78 1rkx n GLN 8 Ca 0.01 0.77 0.00 0.00 -2.00 0.00 0.00 57.00 55.78 1rkx n GLN 8 Cb 0.38 -2.58 0.00 0.00 -4.06 0.00 0.00 30.24 23.98 1rkx n GLN 8 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1rkx n GLY 9 N 4.02 2.65 3.76 1.69 0.00 -0.00 -4.90 105.19 112.41 1rkx n GLY 9 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1rkx n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rkx s LYS 10 N 0.00 4.23 -0.51 1.61 -0.14 -0.78 -4.48 119.74 119.68 1rkx s LYS 10 Ca 0.00 2.38 -0.22 0.00 -1.36 0.00 0.00 55.97 56.77 1rkx s LYS 10 Cb 0.00 -3.05 0.04 0.00 -1.68 0.00 0.00 37.83 33.14 1rkx s LYS 10 CO 0.00 -0.40 0.77 1.03 -0.76 0.00 0.00 175.35 175.98 1rkx s ARG 11 N -1.28 3.26 -0.15 1.68 0.52 -1.26 -0.21 118.95 121.51 1rkx s ARG 11 Ca 0.55 -0.48 -0.01 0.00 -0.52 0.00 0.00 55.73 55.27 1rkx s ARG 11 Cb -0.43 -4.04 -0.01 0.00 0.52 0.00 0.00 34.95 30.99 1rkx s ARG 11 CO 0.52 -1.28 -0.11 0.08 0.02 0.00 0.00 175.30 174.53 1rkx s VAL 12 N 3.24 3.12 -0.21 3.52 1.01 0.04 -1.21 120.40 129.90 1rkx s VAL 12 Ca 0.24 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 1rkx s VAL 12 Cb -0.15 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1rkx s VAL 12 CO 0.17 0.50 0.07 0.12 0.00 0.00 0.00 175.10 175.96 1rkx s PHE 13 N 0.64 3.18 -0.20 5.22 5.36 -0.15 -1.01 117.98 131.02 1rkx s PHE 13 Ca -0.06 -0.11 0.01 0.00 -0.96 0.00 0.00 56.93 55.81 1rkx s PHE 13 Cb -0.15 -2.14 0.04 0.00 -0.34 0.00 0.00 43.02 40.43 1rkx s PHE 13 CO 0.03 -0.05 -0.09 0.08 -1.46 0.00 0.00 175.22 173.73 1rkx s VAL 14 N 0.86 1.52 0.26 3.12 1.01 0.64 -1.04 120.40 126.76 1rkx s VAL 14 Ca 0.04 -0.96 -0.19 0.00 0.00 0.00 0.00 61.98 60.87 1rkx s VAL 14 Cb -0.14 -1.64 -0.09 0.00 0.00 0.00 0.00 36.38 34.52 1rkx s VAL 14 CO 0.02 0.13 0.74 0.42 0.00 0.00 0.00 175.10 176.42 1rkx s THR 15 N 1.44 4.57 -0.17 3.92 -4.23 -0.62 -1.68 115.64 118.87 1rkx s THR 15 Ca -0.01 1.24 0.00 0.00 -1.18 0.00 0.00 61.69 61.73 1rkx s THR 15 Cb -0.16 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 69.88 1rkx s THR 15 CO -0.08 0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 1rkx n GLY 16 N 0.41 0.40 0.16 3.99 0.00 -0.63 -2.10 105.19 107.42 1rkx n GLY 16 Ca -0.00 -0.91 0.13 0.00 0.00 0.00 0.00 46.02 45.23 1rkx n GLY 16 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1rkx h HIS 17 N 0.00 0.00 -0.05 1.61 -0.00 -1.78 -2.64 115.15 112.30 1rkx h HIS 17 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 1rkx h HIS 17 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.99 1rkx h HIS 17 CO 0.05 0.00 0.00 0.25 -0.00 0.00 0.00 177.93 178.23 1rkx n THR 18 N -2.39 0.05 -2.82 6.12 -2.24 -1.26 -2.97 114.28 108.77 1rkx n THR 18 Ca 0.02 -0.22 -0.08 0.00 -2.27 0.00 0.00 64.05 61.49 1rkx n THR 18 Cb 0.22 0.30 0.03 0.00 -2.10 0.00 0.00 70.33 68.78 1rkx n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rkx n GLY 19 N 1.12 1.56 0.31 3.38 0.00 -0.99 -4.38 105.19 106.19 1rkx n GLY 19 Ca 0.19 -2.11 -0.12 0.00 0.00 0.00 0.00 46.02 43.98 1rkx n GLY 19 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1rkx h PHE 20 N -0.12 -0.73 -0.57 1.61 3.57 -1.88 0.23 116.94 119.05 1rkx h PHE 20 Ca -0.11 -0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.26 1rkx h PHE 20 Cb 0.49 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 1rkx h PHE 20 CO 0.00 -0.45 -0.06 0.87 -2.23 0.00 0.00 178.31 176.44 1rkx h LYS 21 N -0.84 1.05 -0.71 1.11 1.57 -1.97 -2.80 116.57 113.98 1rkx h LYS 21 Ca -0.08 -0.36 -0.03 0.00 -1.87 0.00 0.00 60.65 58.31 1rkx h LYS 21 Cb 0.60 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 1rkx h LYS 21 CO 0.13 1.05 0.31 0.78 -0.57 0.00 0.00 179.45 181.15 1rkx h GLY 22 N 0.96 1.10 0.80 3.86 0.00 -1.65 -1.11 103.07 107.03 1rkx h GLY 22 Ca 0.16 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1rkx h GLY 22 CO 0.04 0.53 0.02 -1.33 0.00 0.00 0.00 176.54 175.79 1rkx h GLY 23 N 1.08 0.19 1.01 4.60 0.00 -0.82 0.55 103.07 109.67 1rkx h GLY 23 Ca 0.24 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 1rkx h GLY 23 CO -0.03 0.11 0.43 1.49 0.00 0.00 0.00 176.54 178.55 1rkx h TRP 24 N -0.05 1.05 -0.40 5.60 4.06 -1.34 -0.33 115.95 124.54 1rkx h TRP 24 Ca 0.03 -0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.93 1rkx h TRP 24 Cb 0.28 -0.34 -0.02 0.00 -1.00 0.00 0.00 29.16 28.09 1rkx h TRP 24 CO 0.02 0.73 0.12 1.25 -3.56 0.00 0.00 178.44 177.00 1rkx h LEU 25 N 1.06 0.58 -0.57 -4.49 5.85 -1.07 -0.73 115.31 115.95 1rkx h LEU 25 Ca 0.27 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1rkx h LEU 25 Cb 0.02 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1rkx h LEU 25 CO -0.04 0.64 0.31 0.28 -0.34 0.00 0.00 178.44 179.29 1rkx h SER 26 N 0.50 0.71 -0.70 1.25 0.02 -0.58 0.13 113.55 114.88 1rkx h SER 26 Ca 0.13 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1rkx h SER 26 Cb 0.27 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 1rkx h SER 26 CO -0.00 0.59 0.37 -0.07 -1.14 0.00 0.00 176.83 176.57 1rkx h LEU 27 N 0.76 0.89 -0.11 5.07 3.38 -0.89 -0.33 115.31 124.07 1rkx h LEU 27 Ca 0.20 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1rkx h LEU 27 Cb 0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1rkx h LEU 27 CO -0.03 0.74 0.06 -0.25 0.09 0.00 0.00 178.44 179.05 1rkx h TRP 28 N 0.96 0.15 -0.66 1.13 2.91 -0.63 -0.92 115.95 118.89 1rkx h TRP 28 Ca 0.24 -0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.28 1rkx h TRP 28 Cb 0.07 -0.05 -0.04 0.00 -0.51 0.00 0.00 29.16 28.63 1rkx h TRP 28 CO -0.00 0.18 0.42 -0.07 -1.03 0.00 0.00 178.44 177.94 1rkx h LEU 29 N 0.08 0.72 -0.29 0.65 3.38 -0.77 -2.46 115.31 116.62 1rkx h LEU 29 Ca 0.04 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1rkx h LEU 29 Cb 0.08 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1rkx h LEU 29 CO -0.01 0.51 0.18 1.56 0.09 0.00 0.00 178.44 180.77 1rkx h GLN 30 N 0.85 0.35 0.00 1.13 4.20 -0.76 -1.95 115.11 118.94 1rkx h GLN 30 Ca 0.25 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.94 1rkx h GLN 30 Cb -0.04 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.66 1rkx h GLN 30 CO -0.08 0.23 -0.03 1.79 -0.67 0.00 0.00 178.83 180.08 1rkx h THR 31 N 0.36 0.62 -0.31 -0.54 1.35 -0.82 -0.89 112.91 112.68 1rkx h THR 31 Ca 0.11 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1rkx h THR 31 Cb -0.02 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 1rkx h THR 31 CO -0.04 0.03 0.00 0.23 -0.25 0.00 0.00 175.52 175.49 1rkx n MET 32 N -3.92 1.84 -0.84 4.72 2.81 -0.79 -4.92 117.12 116.01 1rkx n MET 32 Ca -0.03 -1.29 0.00 0.00 -1.81 0.00 0.00 57.70 54.57 1rkx n MET 32 Cb 0.11 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 1rkx n MET 32 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rkx n GLY 33 N 1.12 0.54 3.83 3.03 0.00 -0.34 -2.95 105.19 110.42 1rkx n GLY 33 Ca 0.14 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 1rkx n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rkx s ALA 34 N -2.00 2.91 -0.50 4.61 0.00 -0.83 -0.82 121.76 125.13 1rkx s ALA 34 Ca 0.00 0.20 -0.17 0.00 0.00 0.00 0.00 51.96 51.99 1rkx s ALA 34 Cb 0.00 -3.16 0.07 0.00 0.00 0.00 0.00 23.12 20.03 1rkx s ALA 34 CO 0.00 -0.62 0.53 0.99 0.00 0.00 0.00 175.76 176.66 1rkx s THR 35 N -2.70 5.03 -0.07 0.00 2.01 0.71 -4.62 115.64 116.01 1rkx s THR 35 Ca 0.60 -0.80 -0.01 0.00 0.31 0.00 0.00 61.69 61.79 1rkx s THR 35 Cb -0.13 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.11 1rkx s THR 35 CO 0.39 -0.74 -0.01 -0.69 -0.69 0.00 0.00 174.62 172.88 1rkx s VAL 36 N 2.19 4.17 -0.05 3.82 1.01 -1.26 -0.78 120.40 129.50 1rkx s VAL 36 Ca 0.10 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.75 1rkx s VAL 36 Cb -0.22 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.40 1rkx s VAL 36 CO 0.09 0.56 -0.12 -0.75 0.00 0.00 0.00 175.10 174.88 1rkx s LYS 37 N -0.99 1.50 0.16 2.72 2.20 -0.18 -1.09 119.74 124.07 1rkx s LYS 37 Ca 0.14 -0.43 0.09 0.00 -0.36 0.00 0.00 55.97 55.42 1rkx s LYS 37 Cb -0.11 -1.29 -0.04 0.00 -1.51 0.00 0.00 37.83 34.87 1rkx s LYS 37 CO 0.04 0.10 -0.13 0.20 -0.36 0.00 0.00 175.35 175.19 1rkx s GLY 38 N 0.39 1.72 -0.17 5.54 0.00 0.87 -0.26 107.32 115.42 1rkx s GLY 38 Ca -0.09 -1.45 -0.05 0.00 0.00 0.00 0.00 44.72 43.14 1rkx s GLY 38 CO 0.02 -1.46 0.10 -0.47 0.00 0.00 0.00 173.10 171.30 1rkx s TYR 39 N -1.53 0.13 0.32 1.90 5.04 -0.68 -0.82 117.35 121.71 1rkx s TYR 39 Ca 0.22 -0.21 -0.13 0.00 -2.44 0.00 0.00 57.07 54.51 1rkx s TYR 39 Cb -0.09 -0.64 0.02 0.00 0.35 0.00 0.00 41.96 41.60 1rkx s TYR 39 CO 0.13 -0.50 0.64 -1.12 -1.34 0.00 0.00 175.55 173.36 1rkx s SER 40 N 2.16 0.11 0.75 4.32 0.01 -0.92 -1.61 113.70 118.53 1rkx s SER 40 Ca 0.03 -1.05 -0.08 0.00 1.31 0.00 0.00 55.95 56.16 1rkx s SER 40 Cb -0.16 0.73 0.09 0.00 0.21 0.00 0.00 66.02 66.89 1rkx s SER 40 CO -0.09 -1.41 1.07 -0.76 0.41 0.00 0.00 173.24 172.46 1rkx s LEU 41 N -3.06 2.81 0.53 2.44 1.43 -1.20 -0.12 118.68 121.50 1rkx s LEU 41 Ca 0.19 0.32 -0.21 0.00 -1.03 0.00 0.00 54.13 53.40 1rkx s LEU 41 Cb -0.03 -2.83 -0.07 0.00 0.03 0.00 0.00 46.19 43.29 1rkx s LEU 41 CO 0.12 -1.83 1.10 0.41 0.23 0.00 0.00 176.35 176.38 1rkx n THR 42 N -3.06 3.32 -1.45 5.49 -1.04 -1.26 -4.77 114.28 111.50 1rkx n THR 42 Ca 0.10 -0.50 -0.56 0.00 -2.04 0.00 0.00 64.05 61.05 1rkx n THR 42 Cb 0.60 -1.32 -0.07 0.00 -1.82 0.00 0.00 70.33 67.72 1rkx n THR 42 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1rkx n ALA 43 N -1.12 -3.48 0.30 2.41 0.00 -1.26 -4.81 120.51 112.53 1rkx n ALA 43 Ca 0.11 0.56 0.18 0.00 0.00 0.00 0.00 53.44 54.30 1rkx n ALA 43 Cb 0.44 -1.70 0.89 0.00 0.00 0.00 0.00 19.45 19.08 1rkx n ALA 43 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1rkx h PRO 44 N 2.66 0.00 -4.33 0.00 0.13 -1.87 -3.45 132.00 125.14 1rkx h PRO 44 Ca -0.47 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.48 1rkx h PRO 44 Cb 1.40 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.39 1rkx h PRO 44 CO 0.62 0.00 -0.52 0.95 -0.23 0.00 0.00 178.00 178.82 1rkx s THR 45 N -3.83 0.03 -0.10 1.56 -4.23 -1.26 -5.09 115.64 102.73 1rkx s THR 45 Ca -0.02 -1.82 -0.03 0.00 -1.18 0.00 0.00 61.69 58.64 1rkx s THR 45 Cb 0.10 -2.26 0.05 0.00 1.34 0.00 0.00 72.50 71.73 1rkx s THR 45 CO 0.40 -0.16 0.09 -0.69 -0.54 0.00 0.00 174.62 173.72 1rkx s VAL 46 N -4.09 -0.13 1.31 2.29 1.01 -1.26 -3.78 120.40 115.76 1rkx s VAL 46 Ca 0.30 0.17 -0.21 0.00 0.00 0.00 0.00 61.98 62.25 1rkx s VAL 46 Cb 0.06 -0.35 0.33 0.00 0.00 0.00 0.00 36.38 36.42 1rkx s VAL 46 CO 0.07 -0.02 1.02 -2.84 0.00 0.00 0.00 175.10 173.34 1rkx s PRO 47 N 2.18 -2.08 -0.00 2.72 0.02 -1.26 -5.13 135.00 131.45 1rkx s PRO 47 Ca 0.04 0.03 -0.16 0.00 0.02 0.00 0.00 61.00 60.93 1rkx s PRO 47 Cb -0.14 -1.49 0.03 0.00 0.02 0.00 0.00 34.50 32.92 1rkx s PRO 47 CO -0.06 -4.30 0.35 -1.54 -0.33 0.00 0.00 177.00 171.12 1rkx s SER 48 N -3.52 -0.22 0.24 2.53 1.04 -1.25 -4.77 113.70 107.75 1rkx s SER 48 Ca 0.70 0.08 -0.06 0.00 0.48 0.00 0.00 55.95 57.15 1rkx s SER 48 Cb -0.11 0.35 0.24 0.00 0.10 0.00 0.00 66.02 66.59 1rkx s SER 48 CO 0.57 -0.51 1.83 0.25 0.98 0.00 0.00 173.24 176.36 1rkx h LEU 49 N 3.60 1.06 -0.59 2.42 5.85 -1.89 -0.99 115.31 124.77 1rkx h LEU 49 Ca -0.30 -0.13 0.12 0.00 0.84 0.00 0.00 57.88 58.41 1rkx h LEU 49 Cb 1.18 -0.27 -0.11 0.00 0.37 0.00 0.00 40.66 41.82 1rkx h LEU 49 CO 0.41 0.90 -0.18 0.15 -0.34 0.00 0.00 178.44 179.38 1rkx h PHE 50 N 1.15 -0.42 0.08 1.25 3.57 -1.84 0.18 116.94 120.91 1rkx h PHE 50 Ca 0.28 0.06 -0.14 0.00 3.53 0.00 0.00 57.97 61.69 1rkx h PHE 50 Cb 0.13 0.28 0.01 0.00 2.79 0.00 0.00 35.95 39.15 1rkx h PHE 50 CO 0.01 -0.28 -0.66 0.93 -2.23 0.00 0.00 178.31 176.08 1rkx h GLU 51 N -0.04 0.17 -0.86 1.11 4.39 -1.89 -1.39 114.58 116.08 1rkx h GLU 51 Ca 0.28 -0.29 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1rkx h GLU 51 Cb 0.47 0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.18 1rkx h GLU 51 CO -0.63 1.14 0.46 1.79 -1.16 0.00 0.00 179.01 180.61 1rkx h THR 52 N -0.62 1.25 -0.58 1.13 1.35 -1.02 -2.55 112.91 111.87 1rkx h THR 52 Ca -0.13 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 1rkx h THR 52 Cb 1.42 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1rkx h THR 52 CO 0.06 0.29 0.00 0.00 -0.25 0.00 0.00 175.52 175.62 1rkx n ALA 53 N -2.41 2.64 -4.09 6.62 0.00 0.60 -3.96 120.51 119.91 1rkx n ALA 53 Ca 0.09 -1.15 -0.32 0.00 0.00 0.00 0.00 53.44 52.06 1rkx n ALA 53 Cb 0.10 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.54 1rkx n ALA 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rkx n ARG 54 N 1.12 -1.63 -0.37 0.00 1.74 -0.96 -4.25 116.66 112.31 1rkx n ARG 54 Ca 0.21 0.23 -0.01 0.00 -0.77 0.00 0.00 57.85 57.50 1rkx n ARG 54 Cb 0.61 -3.76 0.13 0.00 -1.02 0.00 0.00 32.46 28.41 1rkx n ARG 54 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1rkx h VAL 55 N -1.97 1.23 -0.23 1.55 2.07 -1.47 -3.02 116.25 114.41 1rkx h VAL 55 Ca -0.66 -0.45 -0.06 0.00 0.82 0.00 0.00 66.70 66.35 1rkx h VAL 55 Cb 1.39 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1rkx h VAL 55 CO 0.62 0.24 -0.12 0.00 0.02 0.00 0.00 177.57 178.33 1rkx h ALA 56 N 1.39 1.36 -0.90 1.67 0.00 -1.89 -3.33 119.26 117.57 1rkx h ALA 56 Ca 0.37 -0.24 0.19 0.00 0.00 0.00 0.00 54.91 55.23 1rkx h ALA 56 Cb -0.11 -0.11 -0.17 0.00 0.00 0.00 0.00 17.79 17.40 1rkx h ALA 56 CO -0.09 0.43 -0.19 -0.44 0.00 0.00 0.00 179.25 178.96 1rkx h ASP 57 N 0.36 -0.78 -0.67 0.00 5.19 -1.91 -1.24 116.42 117.36 1rkx h ASP 57 Ca 0.07 0.27 -0.21 0.00 -0.62 0.00 0.00 57.03 56.53 1rkx h ASP 57 Cb 0.44 0.54 -0.13 0.00 0.18 0.00 0.00 39.33 40.36 1rkx h ASP 57 CO 0.02 -0.29 0.27 0.61 -3.12 0.00 0.00 179.24 176.73 1rkx n GLY 58 N -1.56 3.44 3.58 2.75 0.00 -1.25 -4.96 105.19 107.20 1rkx n GLY 58 Ca 0.14 -0.86 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 1rkx n GLY 58 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1rkx s MET 59 N -2.67 1.92 -0.34 1.61 0.23 -0.47 -4.75 119.30 114.82 1rkx s MET 59 Ca 0.48 -1.58 -0.15 0.00 -1.03 0.00 0.00 55.69 53.40 1rkx s MET 59 Cb 0.39 0.49 -0.01 0.00 -1.53 0.00 0.00 34.83 34.17 1rkx s MET 59 CO 0.12 -0.82 0.37 -1.14 -2.03 0.00 0.00 175.02 171.51 1rkx s GLN 60 N -3.06 3.57 -0.28 3.16 0.74 -0.25 -4.92 119.66 118.62 1rkx s GLN 60 Ca 0.25 -0.39 -0.05 0.00 0.05 0.00 0.00 55.36 55.22 1rkx s GLN 60 Cb -0.02 -3.80 0.01 0.00 1.10 0.00 0.00 33.01 30.31 1rkx s GLN 60 CO 0.16 -0.53 0.04 0.45 -0.55 0.00 0.00 175.29 174.86 1rkx s SER 61 N 1.73 4.91 -0.10 6.67 0.15 -1.26 -0.09 113.70 125.70 1rkx s SER 61 Ca 0.12 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 56.01 1rkx s SER 61 Cb -0.16 -1.82 -0.02 0.00 -1.71 0.00 0.00 66.02 62.30 1rkx s SER 61 CO 0.12 -0.18 -0.10 -0.70 1.20 0.00 0.00 173.24 173.58 1rkx s GLU 62 N 1.45 3.12 -0.28 5.44 2.12 0.00 -4.97 118.70 125.58 1rkx s GLU 62 Ca 0.02 -0.62 -0.12 0.00 0.36 0.00 0.00 54.97 54.60 1rkx s GLU 62 Cb -0.17 -2.63 -0.04 0.00 0.26 0.00 0.00 34.13 31.55 1rkx s GLU 62 CO 0.01 0.41 0.25 0.42 -0.54 0.00 0.00 175.26 175.81 1rkx s ILE 63 N -0.14 5.27 0.13 -3.70 -1.09 -1.26 -2.17 121.20 118.23 1rkx s ILE 63 Ca 0.01 0.24 -0.25 0.00 -2.23 0.00 0.00 60.65 58.42 1rkx s ILE 63 Cb -0.13 -3.60 0.07 0.00 -1.58 0.00 0.00 42.46 37.22 1rkx s ILE 63 CO 0.03 0.19 0.76 -0.83 -1.23 0.00 0.00 174.94 173.86 1rkx s GLY 64 N 1.73 -0.44 -0.14 6.18 0.00 0.83 -4.91 107.32 110.56 1rkx s GLY 64 Ca 0.09 0.48 -0.13 0.00 0.00 0.00 0.00 44.72 45.16 1rkx s GLY 64 CO 0.11 0.15 0.28 -0.35 0.00 0.00 0.00 173.10 173.29 1rkx s ASP 65 N -2.72 6.45 0.00 1.64 -1.08 -1.26 -3.27 116.67 116.43 1rkx s ASP 65 Ca 0.05 0.53 0.15 0.00 -0.52 0.00 0.00 52.55 52.76 1rkx s ASP 65 Cb -0.02 -2.17 0.69 0.00 -1.46 0.00 0.00 42.92 39.96 1rkx s ASP 65 CO -0.07 0.15 1.47 2.30 0.52 0.00 0.00 175.17 179.55 1rkx n ILE 66 N 3.26 0.83 1.42 4.11 -5.35 -1.26 -1.55 119.36 120.82 1rkx n ILE 66 Ca -0.13 0.21 0.14 0.00 -0.27 0.00 0.00 62.75 62.70 1rkx n ILE 66 Cb 0.52 -0.95 0.59 0.00 -1.74 0.00 0.00 39.64 38.07 1rkx n ILE 66 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1rkx n ARG 67 N -1.43 0.78 -3.09 6.28 1.74 -1.26 -4.45 116.66 115.23 1rkx n ARG 67 Ca 0.05 -0.30 -0.45 0.00 -0.77 0.00 0.00 57.85 56.38 1rkx n ARG 67 Cb 0.16 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.09 1rkx n ARG 67 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1rkx s ASP 68 N -2.43 6.78 0.23 0.55 -1.08 -0.59 -4.92 116.67 115.21 1rkx s ASP 68 Ca 0.30 -2.48 -0.09 0.00 -0.52 0.00 0.00 52.55 49.76 1rkx s ASP 68 Cb 0.20 -2.33 0.36 0.00 -1.46 0.00 0.00 42.92 39.69 1rkx s ASP 68 CO 0.47 -0.81 1.65 -0.61 0.52 0.00 0.00 175.17 176.39 1rkx h GLN 69 N 8.14 0.12 -0.07 4.34 4.15 -1.85 -2.01 115.11 127.93 1rkx h GLN 69 Ca 0.16 -0.01 -0.19 0.00 0.77 0.00 0.00 58.65 59.39 1rkx h GLN 69 Cb 1.00 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.66 1rkx h GLN 69 CO 1.00 0.08 -0.75 -0.91 -1.93 0.00 0.00 178.83 176.32 1rkx h ASN 70 N 0.12 0.50 -0.67 -0.69 4.21 -1.96 -1.60 115.58 115.48 1rkx h ASN 70 Ca 0.36 -0.34 -0.08 0.00 1.21 0.00 0.00 56.30 57.46 1rkx h ASN 70 Cb 0.61 -0.15 -0.03 0.00 -1.12 0.00 0.00 38.32 37.63 1rkx h ASN 70 CO -0.58 1.08 0.11 0.50 -1.29 0.00 0.00 177.43 177.25 1rkx h LYS 71 N 0.28 1.12 -0.34 0.81 3.64 -1.83 -1.31 116.57 118.93 1rkx h LYS 71 Ca -0.04 -0.30 -0.08 0.00 -1.27 0.00 0.00 60.65 58.96 1rkx h LYS 71 Cb 1.33 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1rkx h LYS 71 CO 0.13 1.02 -0.11 1.25 -2.27 0.00 0.00 179.45 179.47 1rkx h LEU 72 N 1.05 0.69 -0.31 5.20 5.85 -1.36 -0.87 115.31 125.56 1rkx h LEU 72 Ca 0.21 -0.38 0.04 0.00 0.84 0.00 0.00 57.88 58.59 1rkx h LEU 72 Cb 0.45 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1rkx h LEU 72 CO 0.01 0.91 0.07 0.25 -0.34 0.00 0.00 178.44 179.34 1rkx h LEU 73 N 0.46 0.02 -0.68 2.25 5.85 -1.02 -1.73 115.31 120.46 1rkx h LEU 73 Ca 0.08 0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.71 1rkx h LEU 73 Cb 0.62 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1rkx h LEU 73 CO 0.04 0.05 -0.52 -0.33 -0.34 0.00 0.00 178.44 177.34 1rkx h GLU 74 N 0.18 0.38 -0.81 1.25 4.39 -1.18 -0.51 114.58 118.28 1rkx h GLU 74 Ca 0.15 -0.23 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 1rkx h GLU 74 Cb 0.15 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.79 1rkx h GLU 74 CO -0.19 0.81 0.37 1.03 -1.16 0.00 0.00 179.01 179.86 1rkx h SER 75 N 0.30 1.07 0.20 1.42 0.87 -0.78 0.33 113.55 116.96 1rkx h SER 75 Ca 0.01 -0.14 -0.25 0.00 -1.23 0.00 0.00 61.79 60.18 1rkx h SER 75 Cb 1.01 -0.28 0.01 0.00 -0.44 0.00 0.00 62.40 62.71 1rkx h SER 75 CO 0.09 0.92 -1.00 0.40 -0.53 0.00 0.00 176.83 176.70 1rkx h ILE 76 N 1.16 1.35 -0.49 2.23 2.04 -1.19 -2.72 117.51 119.88 1rkx h ILE 76 Ca 0.28 -2.38 -0.07 0.00 1.00 0.00 0.00 64.86 63.68 1rkx h ILE 76 Cb 0.15 2.42 -0.02 0.00 -0.74 0.00 0.00 36.82 38.63 1rkx h ILE 76 CO -0.03 0.72 0.03 -0.09 0.00 0.00 0.00 178.15 178.78 1rkx h ARG 77 N 0.30 0.85 -0.88 2.37 2.43 -0.73 -0.13 114.38 118.60 1rkx h ARG 77 Ca -0.11 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 58.80 1rkx h ARG 77 Cb 1.65 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 31.07 1rkx h ARG 77 CO 0.18 0.88 0.52 1.49 -1.51 0.00 0.00 179.97 181.53 1rkx h GLU 78 N 0.72 1.20 0.05 0.20 4.22 -0.38 -3.20 114.58 117.38 1rkx h GLU 78 Ca 0.14 -0.12 -0.27 0.00 0.08 0.00 0.00 59.36 59.20 1rkx h GLU 78 Cb 0.47 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1rkx h GLU 78 CO 0.02 0.85 -1.38 0.35 -2.18 0.00 0.00 179.01 176.66 1rkx h PHE 79 N 1.22 0.17 -5.73 0.92 3.57 -1.31 -3.49 116.94 112.29 1rkx h PHE 79 Ca 0.31 -0.13 -0.32 0.00 3.53 0.00 0.00 57.97 61.37 1rkx h PHE 79 Cb -0.03 -0.01 0.15 0.00 2.79 0.00 0.00 35.95 38.85 1rkx h PHE 79 CO 0.01 1.15 -0.86 1.04 -2.23 0.00 0.00 178.31 177.41 1rkx n GLN 80 N -3.31 -2.85 -2.09 1.11 1.13 -0.07 -4.96 117.38 106.33 1rkx n GLN 80 Ca -0.11 0.74 -0.33 0.00 -1.94 0.00 0.00 57.00 55.36 1rkx n GLN 80 Cb 1.01 -5.36 0.01 0.00 0.11 0.00 0.00 30.24 26.01 1rkx n GLN 80 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1rkx s PRO 81 N -5.07 3.27 -0.03 -1.09 0.04 -1.26 -4.92 135.00 125.94 1rkx s PRO 81 Ca 0.35 1.35 0.18 0.00 0.04 0.00 0.00 61.00 62.92 1rkx s PRO 81 Cb -0.07 -2.02 -0.27 0.00 0.04 0.00 0.00 34.50 32.18 1rkx s PRO 81 CO 0.78 -0.87 0.38 0.39 0.04 0.00 0.00 177.00 177.71 1rkx n GLU 82 N -1.82 0.54 -4.17 4.56 1.02 -0.35 -3.86 120.64 116.55 1rkx n GLU 82 Ca 0.10 -0.16 -0.18 0.00 -0.02 0.00 0.00 57.16 56.90 1rkx n GLU 82 Cb 0.52 -1.41 -0.15 0.00 -0.02 0.00 0.00 31.44 30.37 1rkx n GLU 82 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1rkx s ILE 83 N -3.20 0.48 -0.05 -3.67 1.01 -1.04 -0.23 121.20 114.49 1rkx s ILE 83 Ca -0.06 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.43 1rkx s ILE 83 Cb 0.11 -0.45 0.01 0.00 0.01 0.00 0.00 42.46 42.14 1rkx s ILE 83 CO 0.72 0.17 -0.12 -0.69 0.00 0.00 0.00 174.94 175.02 1rkx s VAL 84 N 0.34 1.12 -0.24 2.92 1.01 -0.00 -0.97 120.40 124.58 1rkx s VAL 84 Ca -0.04 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1rkx s VAL 84 Cb -0.08 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.33 1rkx s VAL 84 CO -0.00 0.34 -0.10 -0.36 0.00 0.00 0.00 175.10 174.98 1rkx s PHE 85 N 0.45 3.06 -0.53 5.22 0.40 -0.21 -0.42 117.98 125.95 1rkx s PHE 85 Ca -0.10 -1.79 -0.17 0.00 -0.60 0.00 0.00 56.93 54.27 1rkx s PHE 85 Cb -0.13 -2.00 0.10 0.00 0.51 0.00 0.00 43.02 41.50 1rkx s PHE 85 CO 0.03 -0.79 0.55 -1.58 0.70 0.00 0.00 175.22 174.13 1rkx s HIS 86 N 1.26 3.15 -0.30 0.36 2.46 -0.25 -1.59 115.29 120.37 1rkx s HIS 86 Ca -0.01 -0.99 0.04 0.00 0.47 0.00 0.00 55.06 54.57 1rkx s HIS 86 Cb -0.17 -3.65 -0.01 0.00 -0.13 0.00 0.00 32.58 28.61 1rkx s HIS 86 CO -0.06 -1.04 0.33 -1.33 -2.47 0.00 0.00 174.74 170.17 1rkx n MET 87 N 5.68 3.56 -2.25 2.88 2.81 -0.89 -1.22 117.12 127.69 1rkx n MET 87 Ca -0.11 -0.27 -0.42 0.00 -1.81 0.00 0.00 57.70 55.09 1rkx n MET 87 Cb 0.42 -0.82 -0.03 0.00 -0.71 0.00 0.00 33.22 32.08 1rkx n MET 87 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1rkx s ALA 88 N -0.99 3.52 -0.14 3.04 0.00 -1.11 -4.71 121.76 121.37 1rkx s ALA 88 Ca 0.03 1.06 -0.34 0.00 0.00 0.00 0.00 51.96 52.70 1rkx s ALA 88 Cb 0.03 -3.49 0.14 0.00 0.00 0.00 0.00 23.12 19.80 1rkx s ALA 88 CO 0.12 -0.53 1.28 0.00 0.00 0.00 0.00 175.76 176.63 1rkx s ALA 89 N 0.55 -2.18 -0.59 0.00 0.00 -1.26 -4.90 121.76 113.37 1rkx s ALA 89 Ca 0.59 1.29 -0.22 0.00 0.00 0.00 0.00 51.96 53.62 1rkx s ALA 89 Cb -0.35 0.03 0.06 0.00 0.00 0.00 0.00 23.12 22.86 1rkx s ALA 89 CO 0.34 -0.78 0.89 -1.14 0.00 0.00 0.00 175.76 175.07 1rkx s GLN 90 N -2.33 3.19 0.00 0.00 -0.44 -1.26 -4.91 119.66 113.91 1rkx s GLN 90 Ca 0.12 -0.65 0.28 0.00 -2.50 0.00 0.00 55.36 52.60 1rkx s GLN 90 Cb 0.02 -4.14 1.05 0.00 -1.64 0.00 0.00 33.01 28.29 1rkx s GLN 90 CO -0.04 -1.59 1.74 -0.35 0.50 0.00 0.00 175.29 175.55 1rkx n PRO 91 N 7.31 1.41 -3.58 1.67 -0.04 -1.26 -4.93 135.00 135.57 1rkx n PRO 91 Ca -0.02 -0.78 -0.37 0.00 -0.04 0.00 0.00 63.50 62.29 1rkx n PRO 91 Cb 0.46 -1.48 -0.08 0.00 -0.04 0.00 0.00 33.50 32.35 1rkx n PRO 91 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1rkx s LEU 92 N -2.13 4.17 0.03 1.53 1.43 -1.26 -4.98 118.68 117.48 1rkx s LEU 92 Ca 0.35 0.32 -0.27 0.00 -1.03 0.00 0.00 54.13 53.50 1rkx s LEU 92 Cb 0.21 -2.26 -0.17 0.00 0.03 0.00 0.00 46.19 44.00 1rkx s LEU 92 CO 0.38 0.06 1.36 0.58 0.23 0.00 0.00 176.35 178.96 1rkx h VAL 93 N 4.88 0.53 -0.45 -1.59 2.07 -1.99 -1.87 116.25 117.84 1rkx h VAL 93 Ca -0.39 -0.36 0.08 0.00 0.82 0.00 0.00 66.70 66.86 1rkx h VAL 93 Cb 1.16 0.70 -0.10 0.00 -1.52 0.00 0.00 31.29 31.53 1rkx h VAL 93 CO 0.71 0.06 -0.35 -0.09 0.02 0.00 0.00 177.57 177.92 1rkx h ARG 94 N -0.80 -0.24 -0.06 1.57 2.43 -2.02 0.04 114.38 115.30 1rkx h ARG 94 Ca -0.06 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1rkx h ARG 94 Cb 0.55 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1rkx h ARG 94 CO 0.10 -0.16 -0.03 1.25 -1.51 0.00 0.00 179.97 179.62 1rkx h LEU 95 N -0.25 0.07 -1.77 3.80 5.85 -1.98 -2.33 115.31 118.71 1rkx h LEU 95 Ca 0.18 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 1rkx h LEU 95 Cb 0.55 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 1rkx h LEU 95 CO -0.58 0.11 -0.16 0.77 -0.34 0.00 0.00 178.44 178.24 1rkx h SER 96 N 0.08 0.00 0.78 1.25 4.64 -0.11 0.50 113.55 120.68 1rkx h SER 96 Ca 0.02 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.20 1rkx h SER 96 Cb 0.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1rkx h SER 96 CO 0.00 0.16 -0.65 1.88 -0.87 0.00 0.00 176.83 177.35 1rkx h TYR 97 N 0.00 0.00 0.05 4.77 -1.99 -1.23 -1.73 116.97 116.84 1rkx h TYR 97 Ca -0.00 0.00 -0.29 0.00 2.00 0.00 0.00 58.73 60.44 1rkx h TYR 97 Cb 0.34 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.05 1rkx h TYR 97 CO 0.00 0.65 -1.55 1.03 -0.00 0.00 0.00 178.16 178.29 1rkx h SER 98 N 0.00 0.17 -2.09 3.88 0.87 -1.25 -3.40 113.55 111.73 1rkx h SER 98 Ca -0.01 -0.28 -0.56 0.00 -1.23 0.00 0.00 61.79 59.72 1rkx h SER 98 Cb 1.22 -0.06 -0.40 0.00 -0.44 0.00 0.00 62.40 62.72 1rkx h SER 98 CO 0.09 1.24 -0.93 -0.62 -0.53 0.00 0.00 176.83 176.08 1rkx n GLU 99 N -3.28 1.63 -0.21 2.24 1.02 0.16 -4.95 120.64 117.25 1rkx n GLU 99 Ca -0.15 -3.88 -0.06 0.00 -0.02 0.00 0.00 57.16 53.04 1rkx n GLU 99 Cb 1.03 -1.75 0.04 0.00 -0.02 0.00 0.00 31.44 30.73 1rkx n GLU 99 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1rkx h PRO 100 N 3.65 0.80 -0.26 3.49 0.13 -1.54 -2.26 132.00 136.00 1rkx h PRO 100 Ca 0.12 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1rkx h PRO 100 Cb 0.79 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 1rkx h PRO 100 CO 0.62 0.55 0.16 0.28 -0.23 0.00 0.00 178.00 179.38 1rkx h VAL 101 N 0.81 1.09 -0.27 1.56 2.07 -1.92 -1.13 116.25 118.46 1rkx h VAL 101 Ca 0.22 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1rkx h VAL 101 Cb -0.06 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1rkx h VAL 101 CO -0.04 0.09 0.08 -0.33 0.02 0.00 0.00 177.57 177.38 1rkx h GLU 102 N 0.33 0.38 -0.17 1.57 3.07 -1.95 0.06 114.58 117.87 1rkx h GLU 102 Ca 0.09 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 58.87 1rkx h GLU 102 Cb 0.01 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 1rkx h GLU 102 CO -0.02 0.35 -0.03 1.15 -1.40 0.00 0.00 179.01 179.06 1rkx h THR 103 N 0.38 1.28 -0.45 1.13 2.02 -0.75 -0.94 112.91 115.58 1rkx h THR 103 Ca 0.09 -0.96 -0.11 0.00 0.77 0.00 0.00 66.41 66.21 1rkx h THR 103 Cb 0.13 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 1rkx h THR 103 CO -0.01 0.29 -0.15 1.88 0.37 0.00 0.00 175.52 177.90 1rkx h TYR 104 N 0.05 1.02 -0.44 3.16 -1.99 -0.78 0.21 116.97 118.21 1rkx h TYR 104 Ca 0.05 -0.23 -0.02 0.00 2.00 0.00 0.00 58.73 60.52 1rkx h TYR 104 Cb 0.45 -0.24 -0.02 0.00 2.00 0.00 0.00 36.73 38.91 1rkx h TYR 104 CO 0.05 1.01 0.20 0.66 -0.00 0.00 0.00 178.16 180.08 1rkx h SER 105 N 0.74 0.59 0.03 3.88 4.64 -0.99 0.11 113.55 122.54 1rkx h SER 105 Ca 0.11 -0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1rkx h SER 105 Cb 0.71 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1rkx h SER 105 CO 0.05 0.57 -0.01 0.74 -0.87 0.00 0.00 176.83 177.31 1rkx h THR 106 N 0.56 1.30 0.08 2.95 2.02 -1.10 -1.11 112.91 117.61 1rkx h THR 106 Ca 0.15 -1.03 -0.26 0.00 0.77 0.00 0.00 66.41 66.04 1rkx h THR 106 Cb 0.15 1.99 0.01 0.00 -1.74 0.00 0.00 68.15 68.55 1rkx h THR 106 CO -0.02 0.26 -1.13 0.78 0.37 0.00 0.00 175.52 175.79 1rkx h ASN 107 N -0.48 0.49 0.00 4.18 2.35 -0.95 -2.78 115.58 118.38 1rkx h ASN 107 Ca -0.00 -0.46 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 1rkx h ASN 107 Cb 0.46 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1rkx h ASN 107 CO 0.01 1.32 -0.41 0.52 -1.65 0.00 0.00 177.43 177.21 1rkx n VAL 108 N -3.63 1.06 0.01 2.81 0.31 0.36 -3.72 118.33 115.52 1rkx n VAL 108 Ca -0.08 0.29 0.01 0.00 -0.01 0.00 0.00 64.34 64.54 1rkx n VAL 108 Cb 0.95 -2.16 0.33 0.00 -0.91 0.00 0.00 33.84 32.05 1rkx n VAL 108 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1rkx h MET 109 N -0.74 0.51 -0.87 5.55 2.86 -1.29 -0.86 114.93 120.09 1rkx h MET 109 Ca 0.00 -0.09 0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1rkx h MET 109 Cb 0.41 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.94 1rkx h MET 109 CO 0.00 0.49 0.57 0.78 1.06 0.00 0.00 176.91 179.81 1rkx h GLY 110 N 0.76 1.23 1.02 8.32 0.00 -0.91 0.30 103.07 113.80 1rkx h GLY 110 Ca 0.11 -0.45 -0.11 0.00 0.00 0.00 0.00 47.33 46.89 1rkx h GLY 110 CO 0.00 0.42 -0.15 -0.84 0.00 0.00 0.00 176.54 175.97 1rkx h THR 111 N 1.15 1.28 -0.32 4.70 2.02 -1.47 -1.70 112.91 118.56 1rkx h THR 111 Ca 0.33 -1.27 0.01 0.00 0.77 0.00 0.00 66.41 66.24 1rkx h THR 111 Cb -0.09 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1rkx h THR 111 CO -0.09 0.43 0.19 0.58 0.37 0.00 0.00 175.52 177.01 1rkx h VAL 112 N 0.68 1.05 -0.69 3.16 2.07 -0.32 -1.30 116.25 120.89 1rkx h VAL 112 Ca 0.10 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 1rkx h VAL 112 Cb 0.70 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1rkx h VAL 112 CO 0.05 0.07 0.31 1.88 0.02 0.00 0.00 177.57 179.90 1rkx h TYR 113 N 0.40 0.99 0.01 1.57 0.99 -0.33 0.02 116.97 120.61 1rkx h TYR 113 Ca 0.12 -0.05 -0.00 0.00 2.00 0.00 0.00 58.73 60.80 1rkx h TYR 113 Cb -0.02 -0.31 0.00 0.00 1.00 0.00 0.00 36.73 37.41 1rkx h TYR 113 CO -0.07 0.73 -0.01 1.25 -0.00 0.00 0.00 178.16 180.07 1rkx h LEU 114 N 0.98 -0.02 -1.09 3.88 5.85 -0.96 -1.31 115.31 122.65 1rkx h LEU 114 Ca 0.24 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1rkx h LEU 114 Cb 0.13 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1rkx h LEU 114 CO -0.03 0.23 0.14 -0.07 -0.34 0.00 0.00 178.44 178.37 1rkx h LEU 115 N -0.26 0.73 -0.55 2.25 3.38 -1.06 -1.57 115.31 118.24 1rkx h LEU 115 Ca -0.00 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 1rkx h LEU 115 Cb 0.25 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1rkx h LEU 115 CO 0.00 0.71 0.07 -0.08 0.09 0.00 0.00 178.44 179.23 1rkx h GLU 116 N 0.77 0.93 -0.34 1.13 4.57 -0.89 -0.52 114.58 120.22 1rkx h GLU 116 Ca 0.17 -0.26 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1rkx h GLU 116 Cb 0.26 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 1rkx h GLU 116 CO -0.00 0.90 0.19 0.00 -1.18 0.00 0.00 179.01 178.92 1rkx h ALA 117 N 0.98 0.44 -0.87 2.92 0.00 -0.84 -2.02 119.26 119.87 1rkx h ALA 117 Ca 0.16 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1rkx h ALA 117 Cb 0.44 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1rkx h ALA 117 CO 0.02 -0.03 0.54 0.82 0.00 0.00 0.00 179.25 180.59 1rkx h ILE 118 N 0.43 1.24 -0.56 0.00 2.04 -1.10 0.34 117.51 119.90 1rkx h ILE 118 Ca 0.12 -0.50 0.03 0.00 1.00 0.00 0.00 64.86 65.51 1rkx h ILE 118 Cb 0.06 -0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.10 1rkx h ILE 118 CO -0.02 0.24 0.33 -0.09 0.00 0.00 0.00 178.15 178.62 1rkx h ARG 119 N 1.19 0.63 0.16 2.37 2.43 -0.68 -2.19 114.38 118.30 1rkx h ARG 119 Ca 0.31 -0.04 -0.31 0.00 -0.81 0.00 0.00 59.98 59.13 1rkx h ARG 119 Cb -0.07 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.35 1rkx h ARG 119 CO -0.06 0.42 -1.48 0.45 -1.51 0.00 0.00 179.97 177.79 1rkx h HIS 120 N 0.65 0.63 -0.48 2.20 3.86 -1.00 -3.35 115.15 117.65 1rkx h HIS 120 Ca 0.23 -0.46 -0.10 0.00 -1.16 0.00 0.00 60.37 58.89 1rkx h HIS 120 Cb 0.04 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.47 1rkx h HIS 120 CO -0.07 1.44 -0.07 0.28 0.86 0.00 0.00 177.93 180.37 1rkx h VAL 121 N 0.09 1.27 -0.98 2.45 2.07 -0.93 -3.49 116.25 116.73 1rkx h VAL 121 Ca -0.23 -1.19 0.11 0.00 0.82 0.00 0.00 66.70 66.21 1rkx h VAL 121 Cb 2.05 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 32.83 1rkx h VAL 121 CO 0.20 0.41 -0.26 0.61 0.02 0.00 0.00 177.57 178.55 1rkx n GLY 122 N -0.27 -2.15 2.58 2.17 0.00 -0.83 -4.94 105.19 101.75 1rkx n GLY 122 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1rkx n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rkx n GLY 123 N -3.02 2.55 3.68 -0.02 0.00 -1.26 -4.91 105.19 102.21 1rkx n GLY 123 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1rkx n GLY 123 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rkx s VAL 124 N -2.50 4.28 -0.12 1.61 1.01 -1.25 -4.55 120.40 118.89 1rkx s VAL 124 Ca 0.00 1.59 0.03 0.00 0.00 0.00 0.00 61.98 63.61 1rkx s VAL 124 Cb 0.00 -4.03 -0.24 0.00 0.00 0.00 0.00 36.38 32.12 1rkx s VAL 124 CO 0.00 -0.02 0.35 0.29 0.00 0.00 0.00 175.10 175.72 1rkx n LYS 125 N 5.40 0.70 -4.03 2.72 4.76 0.68 -3.93 118.16 124.46 1rkx n LYS 125 Ca 0.11 0.23 -0.17 0.00 -2.87 0.00 0.00 58.31 55.61 1rkx n LYS 125 Cb 0.46 -1.69 -0.16 0.00 -1.84 0.00 0.00 35.03 31.80 1rkx n LYS 125 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1rkx s ALA 126 N -2.56 0.38 -0.11 7.82 0.00 -0.76 -1.10 121.76 125.44 1rkx s ALA 126 Ca -0.17 0.02 0.01 0.00 0.00 0.00 0.00 51.96 51.83 1rkx s ALA 126 Cb 0.07 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.95 1rkx s ALA 126 CO 0.77 -0.01 -0.12 0.08 0.00 0.00 0.00 175.76 176.48 1rkx s VAL 127 N 0.64 1.32 -0.30 0.00 1.01 -0.43 -0.82 120.40 121.83 1rkx s VAL 127 Ca -0.07 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.42 1rkx s VAL 127 Cb -0.10 -1.24 0.07 0.00 0.00 0.00 0.00 36.38 35.11 1rkx s VAL 127 CO -0.01 0.41 -0.04 -0.69 0.00 0.00 0.00 175.10 174.77 1rkx s VAL 128 N 1.19 2.37 -0.36 2.92 1.01 0.44 -1.04 120.40 126.94 1rkx s VAL 128 Ca -0.03 -1.82 -0.16 0.00 0.00 0.00 0.00 61.98 59.97 1rkx s VAL 128 Cb -0.14 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 1rkx s VAL 128 CO -0.04 -0.23 0.38 0.21 0.00 0.00 0.00 175.10 175.43 1rkx s ASN 129 N 1.10 6.19 -0.31 3.32 2.47 -0.07 -1.09 114.94 126.55 1rkx s ASN 129 Ca -0.02 -0.30 -0.29 0.00 0.42 0.00 0.00 52.86 52.67 1rkx s ASN 129 Cb -0.20 -2.20 0.02 0.00 -1.45 0.00 0.00 41.25 37.41 1rkx s ASN 129 CO -0.05 -0.39 1.07 -0.63 -3.72 0.00 0.00 177.10 173.38 1rkx s ILE 130 N 2.05 4.52 0.00 -5.21 1.09 -0.35 -1.33 121.20 121.98 1rkx s ILE 130 Ca 0.12 1.76 0.00 0.00 -1.10 0.00 0.00 60.65 61.43 1rkx s ILE 130 Cb -0.17 -4.41 0.00 0.00 -1.06 0.00 0.00 42.46 36.83 1rkx s ILE 130 CO 0.12 -0.46 0.00 0.35 -0.10 0.00 0.00 174.94 174.85 1rkx n THR 131 N 5.83 0.00 -3.60 2.92 -2.24 -0.81 -4.79 114.28 111.58 1rkx n THR 131 Ca 0.12 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.85 1rkx n THR 131 Cb 0.47 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.67 1rkx n THR 131 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1rkx s SER 132 N -0.54 -0.14 0.48 3.42 0.15 -1.26 -4.89 113.70 110.92 1rkx s SER 132 Ca 0.00 0.04 0.31 0.00 0.70 0.00 0.00 55.95 57.00 1rkx s SER 132 Cb 0.00 0.13 1.26 0.00 -1.71 0.00 0.00 66.02 65.71 1rkx s SER 132 CO 0.00 -0.20 1.91 -2.24 1.20 0.00 0.00 173.24 173.91 1rkx h ASP 133 N 2.06 0.00 -0.08 5.45 2.03 -1.78 -2.77 116.42 121.33 1rkx h ASP 133 Ca -0.09 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.21 1rkx h ASP 133 Cb 1.17 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 1rkx h ASP 133 CO 0.23 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.73 1rkx n LYS 134 N -2.88 1.27 0.15 4.15 4.76 -1.26 -3.95 118.16 120.40 1rkx n LYS 134 Ca 0.01 -0.41 0.13 0.00 -2.87 0.00 0.00 58.31 55.17 1rkx n LYS 134 Cb 0.29 -1.24 0.48 0.00 -1.84 0.00 0.00 35.03 32.72 1rkx n LYS 134 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1rkx s TYR 136 N -3.32 3.91 0.04 0.00 1.51 -1.25 -0.33 117.35 117.91 1rkx s TYR 136 Ca 0.05 1.87 -0.31 0.00 -1.01 0.00 0.00 57.07 57.67 1rkx s TYR 136 Cb 0.10 -3.03 -0.10 0.00 -0.11 0.00 0.00 41.96 38.82 1rkx s TYR 136 CO 0.48 0.30 1.92 -3.47 -1.11 0.00 0.00 175.55 173.67 1rkx n ASP 137 N 1.71 4.00 -4.62 2.29 2.03 0.25 -4.17 116.55 118.04 1rkx n ASP 137 Ca -0.01 0.94 -0.43 0.00 0.52 0.00 0.00 54.79 55.81 1rkx n ASP 137 Cb 0.47 -1.50 -0.02 0.00 -0.72 0.00 0.00 41.12 39.35 1rkx n ASP 137 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1rkx s ASN 138 N 3.93 6.51 0.00 1.67 3.84 -1.26 -4.85 114.94 124.78 1rkx s ASN 138 Ca 0.88 1.00 0.26 0.00 0.21 0.00 0.00 52.86 55.21 1rkx s ASN 138 Cb -0.49 -2.54 0.66 0.00 -0.55 0.00 0.00 41.25 38.33 1rkx s ASN 138 CO 0.43 -1.25 1.52 0.29 -2.79 0.00 0.00 177.10 175.29 1rkx n LYS 139 N 7.70 0.12 -3.71 0.43 4.76 -1.26 -4.96 118.16 121.23 1rkx n LYS 139 Ca 0.15 -0.06 -0.23 0.00 -2.87 0.00 0.00 58.31 55.30 1rkx n LYS 139 Cb 0.47 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 32.19 1rkx n LYS 139 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1rkx n GLU 140 N -1.39 -3.77 -4.67 1.97 1.02 -1.26 -4.99 120.64 107.55 1rkx n GLU 140 Ca 0.07 0.57 -0.30 0.00 -0.02 0.00 0.00 57.16 57.47 1rkx n GLU 140 Cb 0.33 -4.91 -0.08 0.00 -0.02 0.00 0.00 31.44 26.77 1rkx n GLU 140 CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 1rkx s TRP 141 N -3.67 1.90 -0.82 -0.32 -2.14 -1.26 -4.98 118.94 107.66 1rkx s TRP 141 Ca 0.12 -1.02 0.26 0.00 2.66 0.00 0.00 56.10 58.11 1rkx s TRP 141 Cb -0.03 -1.49 0.96 0.00 -3.10 0.00 0.00 33.47 29.81 1rkx s TRP 141 CO 0.83 0.10 1.80 0.44 -2.66 0.00 0.00 176.95 177.45 1rkx n ILE 142 N -1.13 0.45 -3.22 0.66 -5.35 -1.26 -4.32 119.36 105.20 1rkx n ILE 142 Ca -0.14 -0.08 -0.35 0.00 -0.27 0.00 0.00 62.75 61.91 1rkx n ILE 142 Cb 0.66 -0.66 -0.06 0.00 -1.74 0.00 0.00 39.64 37.85 1rkx n ILE 142 CO 0.00 0.00 0.00 0.26 -1.76 0.00 0.00 176.55 175.05 1rkx s TRP 143 N -3.08 3.59 0.23 4.28 0.51 -1.26 -4.87 118.94 118.34 1rkx s TRP 143 Ca 0.11 1.22 -0.30 0.00 -2.12 0.00 0.00 56.10 55.01 1rkx s TRP 143 Cb 0.14 -2.50 -0.09 0.00 -0.81 0.00 0.00 33.47 30.21 1rkx s TRP 143 CO 0.52 0.34 1.07 0.20 -0.51 0.00 0.00 176.95 178.57 1rkx s GLY 144 N -1.79 3.00 0.37 0.98 0.00 -1.26 -4.64 107.32 103.98 1rkx s GLY 144 Ca 0.43 0.81 -0.26 0.00 0.00 0.00 0.00 44.72 45.70 1rkx s GLY 144 CO 0.20 1.50 1.12 -0.19 0.00 0.00 0.00 173.10 175.73 1rkx s TYR 145 N -0.83 3.25 0.07 1.90 1.51 -0.47 -4.16 117.35 118.62 1rkx s TYR 145 Ca 0.45 1.61 0.01 0.00 -1.01 0.00 0.00 57.07 58.13 1rkx s TYR 145 Cb -0.30 -3.30 -0.04 0.00 -0.11 0.00 0.00 41.96 38.21 1rkx s TYR 145 CO 0.37 -0.94 0.19 1.03 -1.11 0.00 0.00 175.55 175.09 1rkx s ARG 146 N -2.12 3.34 0.66 -0.62 0.52 -1.26 -1.00 118.95 118.47 1rkx s ARG 146 Ca 0.54 -0.50 0.39 0.00 -0.52 0.00 0.00 55.73 55.64 1rkx s ARG 146 Cb -0.29 -2.98 2.14 0.00 0.52 0.00 0.00 34.95 34.35 1rkx s ARG 146 CO 0.36 0.59 2.23 0.93 0.02 0.00 0.00 175.30 179.44 1rkx h GLU 147 N 3.03 0.00 -0.25 3.54 3.07 -1.92 -2.01 114.58 120.04 1rkx h GLU 147 Ca -0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 1rkx h GLU 147 Cb 1.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 1rkx h GLU 147 CO 0.74 0.00 0.00 0.27 -1.40 0.00 0.00 179.01 178.62 1rkx n ASN 148 N -3.12 1.76 -4.92 1.42 6.94 -1.26 -4.93 115.26 111.15 1rkx n ASN 148 Ca -0.02 -1.83 -0.26 0.00 -0.02 0.00 0.00 54.58 52.45 1rkx n ASN 148 Cb 0.17 -0.16 0.01 0.00 -2.36 0.00 0.00 39.78 37.43 1rkx n ASN 148 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1rkx s GLU 149 N -1.67 3.32 0.35 -3.83 2.02 -0.76 -5.03 118.70 113.10 1rkx s GLU 149 Ca 0.29 -0.09 -0.28 0.00 0.02 0.00 0.00 54.97 54.91 1rkx s GLU 149 Cb 0.15 -2.45 -0.12 0.00 0.10 0.00 0.00 34.13 31.81 1rkx s GLU 149 CO 0.22 -0.24 1.31 0.00 0.02 0.00 0.00 175.26 176.57 1rkx n ALA 150 N -2.19 1.44 -2.25 5.21 0.00 -1.26 -4.91 120.51 116.55 1rkx n ALA 150 Ca 0.00 0.35 -0.30 0.00 0.00 0.00 0.00 53.44 53.50 1rkx n ALA 150 Cb 0.56 -2.28 -0.03 0.00 0.00 0.00 0.00 19.45 17.71 1rkx n ALA 150 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1rkx s MET 151 N -1.93 3.74 0.00 0.00 -1.94 -1.26 -0.58 119.30 117.33 1rkx s MET 151 Ca 0.55 0.38 0.00 0.00 -1.71 0.00 0.00 55.69 54.91 1rkx s MET 151 Cb -0.55 -2.43 0.00 0.00 2.01 0.00 0.00 34.83 33.85 1rkx s MET 151 CO 0.62 -0.00 0.00 0.41 -0.01 0.00 0.00 175.02 176.04 1rkx n GLY 152 N -1.29 -0.75 0.00 -0.03 0.00 0.55 -4.16 105.19 99.51 1rkx n GLY 152 Ca 0.02 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1rkx n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rkx n GLY 153 N 0.00 4.18 0.13 -0.02 0.00 -1.26 -3.74 105.19 104.48 1rkx n GLY 153 Ca 0.00 -0.94 -0.04 0.00 0.00 0.00 0.00 46.02 45.04 1rkx n GLY 153 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1rkx h TYR 154 N 0.00 -0.27 -4.35 1.61 3.20 -1.89 -3.37 116.97 111.90 1rkx h TYR 154 Ca 0.00 -0.01 -0.50 0.00 3.14 0.00 0.00 58.73 61.36 1rkx h TYR 154 Cb 0.00 0.09 0.07 0.00 1.54 0.00 0.00 36.73 38.43 1rkx h TYR 154 CO 0.00 -0.17 0.40 0.16 -1.64 0.00 0.00 178.16 176.91 1rkx s ASP 155 N -3.93 5.85 0.33 -2.11 -4.77 -1.26 -4.82 116.67 105.96 1rkx s ASP 155 Ca -0.04 1.24 0.07 0.00 -3.30 0.00 0.00 52.55 50.51 1rkx s ASP 155 Cb 0.00 -2.18 0.74 0.00 -1.09 0.00 0.00 42.92 40.39 1rkx s ASP 155 CO 0.13 -1.08 1.86 -0.65 0.70 0.00 0.00 175.17 176.12 1rkx h PRO 156 N -0.44 0.76 0.54 2.11 0.11 -1.90 0.43 132.00 133.60 1rkx h PRO 156 Ca -0.45 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1rkx h PRO 156 Cb 1.22 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 32.17 1rkx h PRO 156 CO 0.63 0.50 -0.26 -0.92 -0.21 0.00 0.00 178.00 177.74 1rkx h TYR 157 N 0.78 -0.67 -0.45 0.65 3.20 -1.87 0.13 116.97 118.74 1rkx h TYR 157 Ca 0.47 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.39 1rkx h TYR 157 Cb 0.66 0.22 -0.05 0.00 1.54 0.00 0.00 36.73 39.10 1rkx h TYR 157 CO -0.00 -0.35 0.14 0.77 -1.64 0.00 0.00 178.16 177.09 1rkx h SER 158 N -0.95 0.13 -0.43 -2.11 0.02 -1.78 -2.02 113.55 106.41 1rkx h SER 158 Ca -0.07 0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 1rkx h SER 158 Cb 0.63 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 1rkx h SER 158 CO 0.12 0.10 0.07 -1.13 -1.14 0.00 0.00 176.83 174.86 1rkx h ASN 159 N 0.31 0.74 0.29 3.07 -0.73 -0.90 -1.79 115.58 116.57 1rkx h ASN 159 Ca 0.22 -0.15 -0.06 0.00 1.87 0.00 0.00 56.30 58.18 1rkx h ASN 159 Cb 0.23 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 38.62 1rkx h ASN 159 CO -0.24 0.77 -0.29 0.77 -0.37 0.00 0.00 177.43 178.07 1rkx h SER 160 N 0.75 0.00 0.38 1.15 4.64 -0.10 0.22 113.55 120.59 1rkx h SER 160 Ca 0.16 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.28 1rkx h SER 160 Cb 0.36 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1rkx h SER 160 CO 0.01 0.29 -0.85 0.11 -0.87 0.00 0.00 176.83 175.52 1rkx h LYS 161 N 0.00 0.34 -0.71 4.77 1.79 -0.77 -0.21 116.57 121.78 1rkx h LYS 161 Ca -0.00 -0.34 -0.06 0.00 -2.18 0.00 0.00 60.65 58.07 1rkx h LYS 161 Cb 0.52 0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 31.23 1rkx h LYS 161 CO 0.04 1.01 0.19 0.78 -1.08 0.00 0.00 179.45 180.39 1rkx h GLY 162 N 1.43 1.21 1.05 3.86 0.00 -0.56 -1.71 103.07 108.35 1rkx h GLY 162 Ca -0.05 -0.75 -0.07 0.00 0.00 0.00 0.00 47.33 46.46 1rkx h GLY 162 CO 0.14 0.70 0.11 0.00 0.00 0.00 0.00 176.54 177.49 1rkx h ALA 164 N 1.04 1.63 -0.11 0.00 0.00 -0.62 0.86 119.26 122.05 1rkx h ALA 164 Ca 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1rkx h ALA 164 Cb 0.42 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1rkx h ALA 164 CO 0.01 0.32 0.02 0.93 0.00 0.00 0.00 179.25 180.53 1rkx h GLU 165 N 0.76 0.19 -0.32 0.00 4.39 -0.92 -1.40 114.58 117.28 1rkx h GLU 165 Ca 0.24 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.91 1rkx h GLU 165 Cb 0.01 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 1rkx h GLU 165 CO -0.06 0.39 0.14 -0.07 -1.16 0.00 0.00 179.01 178.25 1rkx h LEU 166 N -0.04 0.18 -0.39 1.33 4.07 -0.74 -1.06 115.31 118.67 1rkx h LEU 166 Ca 0.03 0.02 0.06 0.00 0.08 0.00 0.00 57.88 58.08 1rkx h LEU 166 Cb 0.30 -0.01 -0.05 0.00 1.08 0.00 0.00 40.66 41.98 1rkx h LEU 166 CO 0.00 0.14 0.07 0.58 -1.08 0.00 0.00 178.44 178.15 1rkx h VAL 167 N 0.29 0.79 -0.71 1.22 2.07 -0.75 -0.81 116.25 118.35 1rkx h VAL 167 Ca 0.14 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 1rkx h VAL 167 Cb 0.08 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1rkx h VAL 167 CO -0.12 0.03 0.35 0.74 0.02 0.00 0.00 177.57 178.60 1rkx h THR 168 N 0.19 1.23 -0.38 2.57 2.02 -0.94 -0.63 112.91 116.97 1rkx h THR 168 Ca 0.19 -0.63 0.01 0.00 0.77 0.00 0.00 66.41 66.74 1rkx h THR 168 Cb 0.23 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 1rkx h THR 168 CO -0.25 0.27 0.24 -1.28 0.37 0.00 0.00 175.52 174.87 1rkx h SER 169 N 0.99 0.41 -0.38 4.18 0.87 -0.50 -0.97 113.55 118.15 1rkx h SER 169 Ca 0.25 -0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.71 1rkx h SER 169 Cb 0.10 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 1rkx h SER 169 CO -0.03 0.29 -0.12 -1.28 -0.53 0.00 0.00 176.83 175.16 1rkx h SER 170 N 0.49 0.76 -0.77 6.23 0.87 -0.87 -1.37 113.55 118.90 1rkx h SER 170 Ca 0.15 -0.38 -0.01 0.00 -1.23 0.00 0.00 61.79 60.32 1rkx h SER 170 Cb -0.03 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 61.68 1rkx h SER 170 CO -0.05 0.96 0.44 1.88 -0.53 0.00 0.00 176.83 179.53 1rkx h TYR 171 N 0.55 1.03 0.07 2.24 -1.99 -0.99 0.16 116.97 118.05 1rkx h TYR 171 Ca 0.09 -0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.80 1rkx h TYR 171 Cb 0.65 -0.33 0.00 0.00 2.00 0.00 0.00 36.73 39.04 1rkx h TYR 171 CO 0.05 0.71 -0.03 -0.09 -0.00 0.00 0.00 178.16 178.80 1rkx h ARG 172 N 1.05 -0.08 -0.80 4.88 2.43 -1.07 0.43 114.38 121.21 1rkx h ARG 172 Ca 0.27 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.42 1rkx h ARG 172 Cb 0.01 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 1rkx h ARG 172 CO -0.05 0.07 0.39 -0.91 -1.51 0.00 0.00 179.97 177.96 1rkx h ASN 173 N -0.22 1.03 0.19 -3.80 -0.26 -1.00 0.69 115.58 112.22 1rkx h ASN 173 Ca -0.01 -0.11 -0.34 0.00 -0.56 0.00 0.00 56.30 55.27 1rkx h ASN 173 Cb 0.19 -0.26 0.01 0.00 -1.06 0.00 0.00 38.32 37.20 1rkx h ASN 173 CO 0.01 0.87 -1.68 0.28 -1.06 0.00 0.00 177.43 175.85 1rkx h SER 174 N 1.14 0.63 0.00 5.81 0.02 -0.58 -3.38 113.55 117.18 1rkx h SER 174 Ca 0.28 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.30 1rkx h SER 174 Cb 0.10 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.43 1rkx h SER 174 CO -0.04 1.76 -0.76 0.49 -1.14 0.00 0.00 176.83 177.14 1rkx n PHE 175 N -3.65 0.00 -2.38 3.45 3.01 0.15 -4.73 117.46 113.31 1rkx n PHE 175 Ca -0.24 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.13 1rkx n PHE 175 Cb 1.06 -0.03 0.05 0.00 -0.01 0.00 0.00 39.48 40.55 1rkx n PHE 175 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1rkx n PHE 176 N -1.40 1.70 -1.69 1.38 3.01 -0.27 -4.97 117.46 115.22 1rkx n PHE 176 Ca -0.00 -2.01 -0.44 0.00 1.01 0.00 0.00 57.45 56.01 1rkx n PHE 176 Cb 0.04 -0.27 -0.03 0.00 -0.01 0.00 0.00 39.48 39.21 1rkx n PHE 176 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1rkx n ASN 177 N -0.60 3.37 0.06 4.37 2.85 0.23 -4.70 115.26 120.83 1rkx n ASN 177 Ca 0.23 1.09 0.20 0.00 -0.11 0.00 0.00 54.58 56.00 1rkx n ASN 177 Cb 0.89 -1.48 0.74 0.00 1.24 0.00 0.00 39.78 41.16 1rkx n ASN 177 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1rkx h PRO 178 N 5.81 0.00 0.00 1.20 0.11 -1.92 0.16 132.00 137.36 1rkx h PRO 178 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1rkx h PRO 178 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1rkx h PRO 178 CO 0.88 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.67 1rkx h ALA 179 N 1.64 1.00 -0.21 -0.75 0.00 -1.97 -2.89 119.26 116.08 1rkx h ALA 179 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1rkx h ALA 179 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1rkx h ALA 179 CO -0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1rkx n ASN 180 N -2.97 3.05 -0.29 0.00 3.02 0.54 -4.71 115.26 113.89 1rkx n ASN 180 Ca 0.01 -2.55 0.18 0.00 -0.03 0.00 0.00 54.58 52.19 1rkx n ASN 180 Cb 0.33 -0.34 0.45 0.00 -0.61 0.00 0.00 39.78 39.60 1rkx n ASN 180 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1rkx h TYR 181 N 1.31 0.73 0.00 3.10 3.20 -1.26 0.27 116.97 124.32 1rkx h TYR 181 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1rkx h TYR 181 Cb 1.00 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.05 1rkx h TYR 181 CO 0.26 0.16 0.00 0.78 -1.64 0.00 0.00 178.16 177.72 1rkx h GLY 182 N 0.52 0.00 0.00 1.82 0.00 -1.84 0.15 103.07 103.71 1rkx h GLY 182 Ca 0.53 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.66 1rkx h GLY 182 CO -0.26 0.00 -1.55 -1.06 0.00 0.00 0.00 176.54 173.67 1rkx n GLN 183 N -2.58 0.55 0.01 4.80 6.02 0.93 -4.73 117.38 122.38 1rkx n GLN 183 Ca -0.02 0.30 -0.10 0.00 -0.01 0.00 0.00 57.00 57.17 1rkx n GLN 183 Cb 0.06 -1.52 -0.14 0.00 1.02 0.00 0.00 30.24 29.67 1rkx n GLN 183 CO 0.00 0.00 0.00 1.12 -1.01 0.00 0.00 177.06 177.17 1rkx h HIS 184 N -1.00 0.10 -0.45 1.08 2.07 -1.45 -3.49 115.15 112.02 1rkx h HIS 184 Ca -0.30 -0.08 -0.19 0.00 -2.85 0.00 0.00 60.37 56.95 1rkx h HIS 184 Cb 1.20 -0.00 -0.08 0.00 2.57 0.00 0.00 27.41 31.10 1rkx h HIS 184 CO -0.23 1.11 -0.17 0.41 -3.07 0.00 0.00 177.93 175.99 1rkx n GLY 185 N 1.56 1.06 3.46 6.13 0.00 0.52 -4.70 105.19 113.21 1rkx n GLY 185 Ca -0.14 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 1rkx n GLY 185 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rkx s THR 186 N -2.19 4.24 -0.35 2.61 2.01 -1.25 -4.31 115.64 116.39 1rkx s THR 186 Ca 0.00 -0.20 -0.11 0.00 0.31 0.00 0.00 61.69 61.69 1rkx s THR 186 Cb 0.00 -2.96 0.01 0.00 0.01 0.00 0.00 72.50 69.57 1rkx s THR 186 CO 0.00 0.38 0.19 0.00 -0.69 0.00 0.00 174.62 174.50 1rkx s ALA 187 N 1.31 3.28 -0.16 7.40 0.00 -0.26 -4.88 121.76 128.45 1rkx s ALA 187 Ca 0.05 -1.60 -0.04 0.00 0.00 0.00 0.00 51.96 50.37 1rkx s ALA 187 Cb -0.15 -2.52 -0.03 0.00 0.00 0.00 0.00 23.12 20.42 1rkx s ALA 187 CO 0.03 -1.21 -0.03 0.08 0.00 0.00 0.00 175.76 174.63 1rkx s VAL 188 N 1.58 3.99 0.13 0.00 1.01 -1.26 -1.31 120.40 124.54 1rkx s VAL 188 Ca 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1rkx s VAL 188 Cb -0.18 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 1rkx s VAL 188 CO 0.07 0.49 0.01 0.00 0.00 0.00 0.00 175.10 175.67 1rkx s ALA 189 N 0.34 1.01 0.12 5.51 0.00 -0.21 -3.61 121.76 124.93 1rkx s ALA 189 Ca -0.03 -1.47 0.10 0.00 0.00 0.00 0.00 51.96 50.56 1rkx s ALA 189 Cb -0.14 0.60 -0.04 0.00 0.00 0.00 0.00 23.12 23.55 1rkx s ALA 189 CO 0.03 -0.39 -0.25 0.95 0.00 0.00 0.00 175.76 176.10 1rkx s THR 190 N -3.85 2.11 -0.04 0.00 -4.23 -0.73 -0.89 115.64 108.01 1rkx s THR 190 Ca 0.21 -1.68 0.04 0.00 -1.18 0.00 0.00 61.69 59.07 1rkx s THR 190 Cb 0.07 -1.88 -0.00 0.00 1.34 0.00 0.00 72.50 72.03 1rkx s THR 190 CO 0.00 0.07 -0.15 0.68 -0.54 0.00 0.00 174.62 174.68 1rkx s VAL 191 N -1.07 1.30 -0.18 2.29 -7.23 -0.44 -1.05 120.40 114.02 1rkx s VAL 191 Ca 0.12 -0.64 0.01 0.00 -1.81 0.00 0.00 61.98 59.66 1rkx s VAL 191 Cb -0.10 -1.13 0.02 0.00 0.56 0.00 0.00 36.38 35.73 1rkx s VAL 191 CO 0.05 0.38 -0.19 -0.13 -0.31 0.00 0.00 175.10 174.90 1rkx s ARG 192 N 0.12 3.00 0.09 4.82 0.52 0.11 -1.93 118.95 125.68 1rkx s ARG 192 Ca -0.05 -0.83 -0.22 0.00 -0.52 0.00 0.00 55.73 54.12 1rkx s ARG 192 Cb -0.11 -2.59 0.05 0.00 0.52 0.00 0.00 34.95 32.82 1rkx s ARG 192 CO 0.02 -0.21 0.53 0.00 0.02 0.00 0.00 175.30 175.65 1rkx s ALA 193 N 1.30 -1.35 0.21 2.13 0.00 -1.26 -0.92 121.76 121.86 1rkx s ALA 193 Ca 0.05 0.46 -0.04 0.00 0.00 0.00 0.00 51.96 52.43 1rkx s ALA 193 Cb -0.13 0.59 0.02 0.00 0.00 0.00 0.00 23.12 23.59 1rkx s ALA 193 CO -0.13 -0.61 0.34 0.41 0.00 0.00 0.00 175.76 175.78 1rkx n GLY 194 N 0.05 2.12 3.86 0.00 0.00 -1.26 -2.55 105.19 107.40 1rkx n GLY 194 Ca -0.17 -1.37 -0.26 0.00 0.00 0.00 0.00 46.02 44.21 1rkx n GLY 194 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rkx n ASN 195 N -1.63 -2.14 -4.72 1.61 3.02 -1.26 -4.68 115.26 105.45 1rkx n ASN 195 Ca -0.02 -0.86 -0.40 0.00 -0.03 0.00 0.00 54.58 53.27 1rkx n ASN 195 Cb 0.33 -3.69 -0.04 0.00 -0.61 0.00 0.00 39.78 35.77 1rkx n ASN 195 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1rkx s VAL 196 N -3.61 5.01 0.14 2.41 1.01 -1.26 -1.99 120.40 122.11 1rkx s VAL 196 Ca 0.24 1.53 0.05 0.00 0.00 0.00 0.00 61.98 63.80 1rkx s VAL 196 Cb -0.12 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 1rkx s VAL 196 CO 0.84 0.25 -0.12 0.27 0.00 0.00 0.00 175.10 176.35 1rkx s ILE 197 N 0.76 1.24 0.00 2.22 -4.36 -0.33 -4.89 121.20 115.84 1rkx s ILE 197 Ca 0.39 -1.93 0.00 0.00 -0.26 0.00 0.00 60.65 58.85 1rkx s ILE 197 Cb -0.18 -1.72 0.00 0.00 1.25 0.00 0.00 42.46 41.81 1rkx s ILE 197 CO 0.20 -0.62 0.00 0.61 0.24 0.00 0.00 174.94 175.36 1rkx n GLY 198 N 0.07 0.91 3.77 6.27 0.00 -1.26 -0.05 105.19 114.90 1rkx n GLY 198 Ca -0.12 -1.05 -0.38 0.00 0.00 0.00 0.00 46.02 44.47 1rkx n GLY 198 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rkx s GLY 199 N 0.00 2.83 0.00 -0.02 0.00 -1.26 -3.63 107.32 105.23 1rkx s GLY 199 Ca 0.00 1.01 0.00 0.00 0.00 0.00 0.00 44.72 45.73 1rkx s GLY 199 CO 0.00 1.50 0.00 0.61 0.00 0.00 0.00 173.10 175.21 1rkx n GLY 200 N 0.55 0.78 3.47 0.20 0.00 -1.26 -5.04 105.19 103.89 1rkx n GLY 200 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1rkx n GLY 200 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rkx s ASP 201 N -2.35 5.74 -0.26 1.61 2.15 -1.24 -3.66 116.67 118.66 1rkx s ASP 201 Ca 0.00 -0.48 0.11 0.00 0.43 0.00 0.00 52.55 52.61 1rkx s ASP 201 Cb 0.00 -2.05 0.51 0.00 -0.30 0.00 0.00 42.92 41.08 1rkx s ASP 201 CO 0.00 -0.21 1.46 0.79 -0.17 0.00 0.00 175.17 177.05 1rkx n TRP 202 N 5.03 1.09 -2.25 -5.34 8.01 -1.26 -4.67 117.44 118.06 1rkx n TRP 202 Ca -0.13 -1.39 -0.41 0.00 -1.31 0.00 0.00 57.50 54.25 1rkx n TRP 202 Cb 0.49 -0.45 -0.03 0.00 -2.01 0.00 0.00 31.31 29.31 1rkx n TRP 202 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1rkx s ALA 203 N -3.12 3.50 0.72 6.99 0.00 -1.26 -4.90 121.76 123.68 1rkx s ALA 203 Ca 0.44 1.09 -0.11 0.00 0.00 0.00 0.00 51.96 53.38 1rkx s ALA 203 Cb 0.39 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 20.07 1rkx s ALA 203 CO 0.03 -0.49 1.07 -0.51 0.00 0.00 0.00 175.76 175.85 1rkx s LEU 204 N -0.50 2.98 0.00 0.00 1.43 -1.26 -3.50 118.68 117.82 1rkx s LEU 204 Ca 0.54 1.49 0.00 0.00 -1.03 0.00 0.00 54.13 55.13 1rkx s LEU 204 Cb -0.36 -4.30 0.00 0.00 0.03 0.00 0.00 46.19 41.56 1rkx s LEU 204 CO 0.40 -1.55 0.00 0.47 0.23 0.00 0.00 176.35 175.91 1rkx n ASP 205 N -3.18 -1.89 -4.69 2.29 8.00 -1.26 -4.94 116.55 110.88 1rkx n ASP 205 Ca 0.07 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.17 1rkx n ASP 205 Cb 0.54 -2.13 -0.05 0.00 -0.02 0.00 0.00 41.12 39.46 1rkx n ASP 205 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1rkx s ARG 206 N -0.99 4.32 0.03 -1.24 6.06 -1.23 -5.00 118.95 120.90 1rkx s ARG 206 Ca 0.00 0.77 -0.07 0.00 -2.50 0.00 0.00 55.73 53.92 1rkx s ARG 206 Cb 0.00 -3.52 -0.03 0.00 0.06 0.00 0.00 34.95 31.46 1rkx s ARG 206 CO 0.00 -0.12 1.12 0.97 -2.50 0.00 0.00 175.30 174.77 1rkx h ILE 207 N 5.00 0.00 -0.31 4.11 6.09 -1.92 -0.32 117.51 130.16 1rkx h ILE 207 Ca -0.35 0.00 0.07 0.00 -1.37 0.00 0.00 64.86 63.21 1rkx h ILE 207 Cb 1.16 0.00 -0.07 0.00 0.47 0.00 0.00 36.82 38.38 1rkx h ILE 207 CO 0.78 0.00 -0.18 0.58 -3.07 0.00 0.00 178.15 176.26 1rkx h VAL 208 N -0.10 0.48 -0.72 2.19 2.07 -1.98 0.35 116.25 118.54 1rkx h VAL 208 Ca 0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.60 1rkx h VAL 208 Cb 0.14 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 1rkx h VAL 208 CO -0.13 0.00 0.48 -0.65 0.02 0.00 0.00 177.57 177.29 1rkx h PRO 209 N -0.14 0.71 -0.57 1.57 0.11 -1.80 -1.00 132.00 130.89 1rkx h PRO 209 Ca 0.16 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.13 1rkx h PRO 209 Cb 0.39 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.32 1rkx h PRO 209 CO -0.40 0.47 -0.02 -0.44 -0.21 0.00 0.00 178.00 177.41 1rkx h ASP 210 N 0.74 0.97 -0.75 -2.05 3.32 0.63 0.44 116.42 119.72 1rkx h ASP 210 Ca 0.31 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1rkx h ASP 210 Cb 0.29 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1rkx h ASP 210 CO -0.11 1.04 0.35 0.40 -1.72 0.00 0.00 179.24 179.20 1rkx h ILE 211 N 0.91 1.24 -0.35 0.35 2.04 0.26 -1.75 117.51 120.21 1rkx h ILE 211 Ca 0.16 -0.70 -0.13 0.00 1.00 0.00 0.00 64.86 65.19 1rkx h ILE 211 Cb 0.55 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1rkx h ILE 211 CO 0.03 0.29 -0.31 -0.07 0.00 0.00 0.00 178.15 178.09 1rkx h LEU 212 N 1.06 0.79 -1.38 1.44 3.38 -1.00 -1.72 115.31 117.87 1rkx h LEU 212 Ca 0.26 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.94 1rkx h LEU 212 Cb 0.13 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1rkx h LEU 212 CO -0.03 1.04 0.44 -0.09 0.09 0.00 0.00 178.44 179.90 1rkx h ARG 213 N 0.65 0.78 -0.02 1.13 9.65 -0.37 -0.17 114.38 126.02 1rkx h ARG 213 Ca 0.07 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.88 1rkx h ARG 213 Cb 0.84 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.24 1rkx h ARG 213 CO 0.07 0.52 -0.07 0.00 2.80 0.00 0.00 179.97 183.29 1rkx h ALA 214 N 1.61 0.04 -0.10 2.80 0.00 -1.02 -3.09 119.26 119.50 1rkx h ALA 214 Ca 0.27 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1rkx h ALA 214 Cb 0.07 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1rkx h ALA 214 CO -0.07 -0.10 -0.17 0.74 0.00 0.00 0.00 179.25 179.64 1rkx h PHE 215 N -0.50 -0.44 -0.03 0.00 0.05 -0.81 -1.09 116.94 114.13 1rkx h PHE 215 Ca -0.00 0.02 0.01 0.00 3.82 0.00 0.00 57.97 61.82 1rkx h PHE 215 Cb 0.68 0.21 -0.00 0.00 2.00 0.00 0.00 35.95 38.84 1rkx h PHE 215 CO 0.14 -0.24 0.04 1.05 -0.18 0.00 0.00 178.31 179.11 1rkx h GLU 216 N -0.23 0.00 -0.62 1.51 4.11 -1.14 0.31 114.58 118.52 1rkx h GLU 216 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.52 1rkx h GLU 216 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1rkx h GLU 216 CO -0.23 0.00 0.00 1.04 0.07 0.00 0.00 179.01 179.89 1rkx n GLN 217 N -3.73 4.47 -3.98 1.06 6.02 -0.52 -4.92 117.38 115.79 1rkx n GLN 217 Ca -0.02 -2.90 -0.33 0.00 -0.01 0.00 0.00 57.00 53.74 1rkx n GLN 217 Cb 0.12 -2.16 -0.06 0.00 1.02 0.00 0.00 30.24 29.16 1rkx n GLN 217 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1rkx n SER 218 N 0.66 -1.56 -4.21 1.08 7.64 0.11 -4.90 113.62 112.46 1rkx n SER 218 Ca 0.26 -0.88 -0.29 0.00 1.01 0.00 0.00 58.87 58.96 1rkx n SER 218 Cb 1.09 -1.38 -0.16 0.00 -1.01 0.00 0.00 64.21 62.75 1rkx n SER 218 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1rkx s GLN 219 N -6.39 2.18 0.29 1.43 0.74 -0.57 -4.92 119.66 112.41 1rkx s GLN 219 Ca 0.64 -0.77 -0.30 0.00 0.05 0.00 0.00 55.36 54.99 1rkx s GLN 219 Cb -0.38 -1.87 -0.12 0.00 1.10 0.00 0.00 33.01 31.74 1rkx s GLN 219 CO 0.79 0.32 1.50 -0.35 -0.55 0.00 0.00 175.29 177.00 1rkx n PRO 220 N 3.03 2.45 -3.46 1.67 -0.04 -1.26 -4.14 135.00 133.24 1rkx n PRO 220 Ca -0.18 0.87 -0.37 0.00 -0.04 0.00 0.00 63.50 63.78 1rkx n PRO 220 Cb 0.52 -2.59 -0.07 0.00 -0.04 0.00 0.00 33.50 31.33 1rkx n PRO 220 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1rkx s VAL 221 N -0.24 5.27 -0.39 0.52 0.11 -0.92 -4.91 120.40 119.83 1rkx s VAL 221 Ca 0.63 0.67 -0.14 0.00 -2.93 0.00 0.00 61.98 60.21 1rkx s VAL 221 Cb -0.55 -3.69 0.02 0.00 -1.53 0.00 0.00 36.38 30.63 1rkx s VAL 221 CO 0.52 0.36 0.27 -0.63 -3.33 0.00 0.00 175.10 172.28 1rkx s ILE 222 N 0.60 5.11 0.38 7.04 1.01 -1.26 -2.42 121.20 131.67 1rkx s ILE 222 Ca 0.19 -0.63 -0.22 0.00 0.00 0.00 0.00 60.65 59.99 1rkx s ILE 222 Cb -0.14 -3.81 -0.10 0.00 0.01 0.00 0.00 42.46 38.42 1rkx s ILE 222 CO 0.06 -0.24 0.93 0.27 0.00 0.00 0.00 174.94 175.95 1rkx s ILE 223 N 1.66 4.36 -0.05 2.92 -4.36 -1.14 -4.98 121.20 119.62 1rkx s ILE 223 Ca 0.05 1.56 0.12 0.00 -0.26 0.00 0.00 60.65 62.12 1rkx s ILE 223 Cb -0.19 -3.75 -0.19 0.00 1.25 0.00 0.00 42.46 39.59 1rkx s ILE 223 CO 0.09 -0.14 0.22 0.54 0.24 0.00 0.00 174.94 175.89 1rkx n ARG 224 N -0.17 0.85 -3.59 0.37 1.74 -1.26 -4.81 116.66 109.79 1rkx n ARG 224 Ca 0.05 -0.09 -0.27 0.00 -0.77 0.00 0.00 57.85 56.77 1rkx n ARG 224 Cb 0.53 -1.31 -0.11 0.00 -1.02 0.00 0.00 32.46 30.55 1rkx n ARG 224 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1rkx n ASN 225 N -2.09 0.90 0.23 0.55 6.94 -1.26 -4.98 115.26 115.54 1rkx n ASN 225 Ca -0.07 -2.71 0.06 0.00 -0.02 0.00 0.00 54.58 51.84 1rkx n ASN 225 Cb 0.49 -0.63 0.52 0.00 -2.36 0.00 0.00 39.78 37.80 1rkx n ASN 225 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 1rkx h PRO 226 N 5.52 0.00 0.00 -0.53 0.13 -1.96 -3.06 132.00 132.09 1rkx h PRO 226 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1rkx h PRO 226 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1rkx h PRO 226 CO 0.51 0.17 -0.68 0.72 -0.23 0.00 0.00 178.00 178.49 1rkx n HIS 227 N -4.32 0.00 -1.73 1.56 8.25 -1.26 -2.23 115.22 115.49 1rkx n HIS 227 Ca -0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 1rkx n HIS 227 Cb 0.23 -0.16 -0.03 0.00 1.12 0.00 0.00 29.99 31.15 1rkx n HIS 227 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rkx s ALA 228 N -3.00 3.94 -0.10 -1.41 0.00 -1.16 -4.75 121.76 115.28 1rkx s ALA 228 Ca 0.10 1.59 0.01 0.00 0.00 0.00 0.00 51.96 53.66 1rkx s ALA 228 Cb 0.17 -3.70 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 1rkx s ALA 228 CO 0.76 -0.93 -0.14 0.42 0.00 0.00 0.00 175.76 175.87 1rkx s ILE 229 N 1.21 3.00 0.01 0.00 1.09 -1.26 -2.22 121.20 123.03 1rkx s ILE 229 Ca 0.75 -0.70 0.02 0.00 -1.10 0.00 0.00 60.65 59.62 1rkx s ILE 229 Cb -0.50 -2.23 -0.01 0.00 -1.06 0.00 0.00 42.46 38.67 1rkx s ILE 229 CO 0.32 0.55 -0.07 -0.13 -0.10 0.00 0.00 174.94 175.51 1rkx s ARG 230 N -0.02 0.53 -1.22 2.79 1.81 -1.26 -4.81 118.95 116.77 1rkx s ARG 230 Ca -0.04 -0.37 -0.18 0.00 -1.72 0.00 0.00 55.73 53.43 1rkx s ARG 230 Cb -0.14 -0.46 -0.02 0.00 -0.45 0.00 0.00 34.95 33.88 1rkx s ARG 230 CO 0.04 0.12 2.02 -0.35 -0.68 0.00 0.00 175.30 176.45 1rkx n PRO 231 N 2.54 2.43 -1.96 3.54 -0.04 -1.26 -4.52 135.00 135.73 1rkx n PRO 231 Ca -0.15 -2.53 -0.39 0.00 -0.04 0.00 0.00 63.50 60.39 1rkx n PRO 231 Cb 0.57 -3.28 0.01 0.00 -0.04 0.00 0.00 33.50 30.75 1rkx n PRO 231 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1rkx s TRP 232 N 4.75 2.65 -0.11 0.54 0.52 -1.26 -4.62 118.94 121.39 1rkx s TRP 232 Ca 0.53 1.37 -0.15 0.00 0.02 0.00 0.00 56.10 57.88 1rkx s TRP 232 Cb 0.10 -3.73 0.04 0.00 -1.15 0.00 0.00 33.47 28.73 1rkx s TRP 232 CO 0.02 -2.39 0.39 1.14 0.02 0.00 0.00 176.95 176.13 1rkx s GLN 233 N -2.43 0.53 0.43 4.98 -2.07 -0.84 -4.74 119.66 115.52 1rkx s GLN 233 Ca 0.61 0.37 -0.25 0.00 -1.82 0.00 0.00 55.36 54.26 1rkx s GLN 233 Cb -0.39 0.25 -0.08 0.00 -1.09 0.00 0.00 33.01 31.70 1rkx s GLN 233 CO 0.50 -0.10 1.35 -1.58 -1.32 0.00 0.00 175.29 174.15 1rkx s HIS 234 N -0.20 2.64 0.49 9.60 5.65 -1.26 -1.19 115.29 131.02 1rkx s HIS 234 Ca -0.04 1.35 0.25 0.00 0.25 0.00 0.00 55.06 56.87 1rkx s HIS 234 Cb -0.03 -3.78 1.32 0.00 -1.18 0.00 0.00 32.58 28.91 1rkx s HIS 234 CO 0.02 -2.47 1.89 -0.24 -0.65 0.00 0.00 174.74 173.29 1rkx h VAL 235 N 2.34 0.63 0.00 0.89 3.04 -0.81 -0.41 116.25 121.93 1rkx h VAL 235 Ca -0.50 -0.05 -0.01 0.00 -1.01 0.00 0.00 66.70 65.13 1rkx h VAL 235 Cb 1.26 0.46 -0.00 0.00 -2.01 0.00 0.00 31.29 31.00 1rkx h VAL 235 CO 0.62 0.03 -0.03 -0.07 -1.01 0.00 0.00 177.57 177.11 1rkx h LEU 236 N 0.16 0.00 0.77 3.16 3.38 -1.89 -3.08 115.31 117.80 1rkx h LEU 236 Ca 0.41 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.35 1rkx h LEU 236 Cb 1.39 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.15 1rkx h LEU 236 CO -0.07 0.03 -0.37 -0.33 0.09 0.00 0.00 178.44 177.79 1rkx h GLU 237 N 0.00 -0.99 -0.27 1.13 4.39 -1.42 -0.11 114.58 117.30 1rkx h GLU 237 Ca -0.00 0.07 -0.09 0.00 0.34 0.00 0.00 59.36 59.68 1rkx h GLU 237 Cb 0.55 0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 1rkx h GLU 237 CO 0.00 -0.65 -0.20 -1.00 -1.16 0.00 0.00 179.01 176.01 1rkx h PRO 238 N -1.20 0.50 -0.86 2.33 0.13 -1.71 -2.63 132.00 128.56 1rkx h PRO 238 Ca -0.11 -0.17 0.02 0.00 -0.87 0.00 0.00 66.00 64.88 1rkx h PRO 238 Cb 0.80 -0.04 -0.05 0.00 0.13 0.00 0.00 31.00 31.85 1rkx h PRO 238 CO 0.17 0.67 0.57 -0.07 -0.23 0.00 0.00 178.00 179.11 1rkx h LEU 239 N 0.45 0.95 -1.14 1.56 4.07 -1.49 0.55 115.31 120.26 1rkx h LEU 239 Ca 0.07 -0.02 -0.03 0.00 0.08 0.00 0.00 57.88 57.99 1rkx h LEU 239 Cb 0.60 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 42.08 1rkx h LEU 239 CO 0.04 0.67 0.24 0.77 -1.08 0.00 0.00 178.44 179.08 1rkx h SER 240 N 1.11 0.77 -0.56 -0.43 4.64 -0.65 -0.68 113.55 117.75 1rkx h SER 240 Ca 0.33 -0.09 -0.10 0.00 -0.47 0.00 0.00 61.79 61.45 1rkx h SER 240 Cb -0.05 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 61.83 1rkx h SER 240 CO -0.09 0.68 -0.04 1.23 -0.87 0.00 0.00 176.83 177.74 1rkx h GLY 241 N 0.95 1.10 1.00 -0.77 0.00 -0.78 -1.02 103.07 103.55 1rkx h GLY 241 Ca 0.20 -0.84 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 1rkx h GLY 241 CO -0.02 0.77 0.35 -0.97 0.00 0.00 0.00 176.54 176.67 1rkx h TYR 242 N 0.90 0.87 -0.32 5.60 0.99 -0.17 -0.35 116.97 124.50 1rkx h TYR 242 Ca 0.15 -0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.81 1rkx h TYR 242 Cb 0.60 -0.28 -0.01 0.00 1.00 0.00 0.00 36.73 38.04 1rkx h TYR 242 CO 0.04 0.63 0.01 -0.07 -0.00 0.00 0.00 178.16 178.77 1rkx h LEU 243 N 0.87 0.54 -0.52 3.88 3.38 -1.01 -0.56 115.31 121.88 1rkx h LEU 243 Ca 0.22 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1rkx h LEU 243 Cb 0.04 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1rkx h LEU 243 CO -0.04 0.70 0.34 0.25 0.09 0.00 0.00 178.44 179.79 1rkx h LEU 244 N 0.35 0.61 -0.49 1.67 5.85 -0.97 -1.62 115.31 120.70 1rkx h LEU 244 Ca 0.09 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1rkx h LEU 244 Cb 0.42 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1rkx h LEU 244 CO 0.01 0.45 0.22 0.25 -0.34 0.00 0.00 178.44 179.03 1rkx h LEU 245 N 0.71 0.66 -0.77 2.25 5.85 -0.94 -2.25 115.31 120.81 1rkx h LEU 245 Ca 0.19 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.83 1rkx h LEU 245 Cb -0.07 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 40.73 1rkx h LEU 245 CO -0.04 0.63 0.46 0.00 -0.34 0.00 0.00 178.44 179.14 1rkx h ALA 246 N 1.06 1.05 -0.54 1.25 0.00 -0.71 1.00 119.26 122.38 1rkx h ALA 246 Ca 0.17 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1rkx h ALA 246 Cb 0.16 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1rkx h ALA 246 CO -0.02 0.16 0.25 0.37 0.00 0.00 0.00 179.25 180.01 1rkx h GLN 247 N 0.83 0.78 -0.63 0.00 4.15 -1.04 -0.97 115.11 118.22 1rkx h GLN 247 Ca 0.34 -0.12 -0.08 0.00 0.77 0.00 0.00 58.65 59.56 1rkx h GLN 247 Cb 0.20 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 1rkx h GLN 247 CO -0.18 0.65 0.08 0.87 -1.93 0.00 0.00 178.83 178.32 1rkx h LYS 248 N 0.72 1.06 -0.75 1.69 1.79 -0.73 -0.55 116.57 119.81 1rkx h LYS 248 Ca 0.18 -0.30 -0.06 0.00 -2.18 0.00 0.00 60.65 58.30 1rkx h LYS 248 Cb 0.14 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.64 1rkx h LYS 248 CO -0.02 1.00 0.25 -0.07 -1.08 0.00 0.00 179.45 179.53 1rkx h LEU 249 N 0.98 1.08 0.35 2.94 3.38 -0.63 0.28 115.31 123.69 1rkx h LEU 249 Ca 0.19 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1rkx h LEU 249 Cb 0.46 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1rkx h LEU 249 CO 0.02 0.99 -0.17 0.22 0.09 0.00 0.00 178.44 179.58 1rkx h TYR 250 N 1.10 -0.44 0.09 1.13 3.20 -0.90 -2.28 116.97 118.87 1rkx h TYR 250 Ca 0.24 -0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.91 1rkx h TYR 250 Cb 0.28 0.15 0.02 0.00 1.54 0.00 0.00 36.73 38.72 1rkx h TYR 250 CO 0.02 -0.11 -0.81 1.79 -1.64 0.00 0.00 178.16 177.42 1rkx h THR 251 N -0.84 1.45 0.06 1.81 1.35 -1.10 -3.39 112.91 112.25 1rkx h THR 251 Ca -0.05 -2.36 -0.34 0.00 -0.55 0.00 0.00 66.41 63.11 1rkx h THR 251 Cb 0.53 2.91 -0.04 0.00 -1.73 0.00 0.00 68.15 69.82 1rkx h THR 251 CO 0.08 0.68 -1.93 0.47 -0.25 0.00 0.00 175.52 174.57 1rkx n ASP 252 N -4.11 1.52 0.00 5.36 8.00 0.95 -5.08 116.55 123.19 1rkx n ASP 252 Ca -0.13 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.64 1rkx n ASP 252 Cb 0.80 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 1rkx n ASP 252 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rkx n GLY 253 N 1.82 0.06 0.35 0.44 0.00 -0.86 -4.60 105.19 102.41 1rkx n GLY 253 Ca -0.27 -1.86 0.17 0.00 0.00 0.00 0.00 46.02 44.06 1rkx n GLY 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rkx h ALA 254 N 0.00 1.55 -0.49 4.61 0.00 -1.90 -2.30 119.26 120.73 1rkx h ALA 254 Ca 0.00 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.05 1rkx h ALA 254 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1rkx h ALA 254 CO 0.00 -0.39 0.43 1.49 0.00 0.00 0.00 179.25 180.77 1rkx h GLU 255 N 0.00 0.00 -0.30 0.00 4.81 -1.95 -0.34 114.58 116.80 1rkx h GLU 255 Ca 0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1rkx h GLU 255 Cb 0.72 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1rkx h GLU 255 CO -0.00 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 178.94 1rkx n TYR 256 N -4.00 0.39 -1.90 0.92 4.02 -0.86 -4.82 117.16 110.90 1rkx n TYR 256 Ca 0.09 -0.30 -0.42 0.00 -0.01 0.00 0.00 57.90 57.26 1rkx n TYR 256 Cb 0.63 -0.01 -0.01 0.00 -0.02 0.00 0.00 39.34 39.93 1rkx n TYR 256 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1rkx n ALA 257 N 0.90 4.63 -3.00 -0.72 0.00 -0.14 -4.74 120.51 117.44 1rkx n ALA 257 Ca 0.13 -3.77 0.00 0.00 0.00 0.00 0.00 53.44 49.80 1rkx n ALA 257 Cb 0.45 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.34 1rkx n ALA 257 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1rkx n GLU 258 N 6.88 0.00 -3.68 0.00 1.02 -1.24 -4.81 120.64 118.81 1rkx n GLU 258 Ca 0.51 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 57.30 1rkx n GLU 258 Cb 0.41 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.78 1rkx n GLU 258 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1rkx s GLY 259 N -0.49 2.29 -0.03 0.62 0.00 -1.26 -1.77 107.32 106.68 1rkx s GLY 259 Ca 0.00 -0.49 0.01 0.00 0.00 0.00 0.00 44.72 44.23 1rkx s GLY 259 CO 0.00 -0.30 -0.01 -0.98 0.00 0.00 0.00 173.10 171.81 1rkx s TRP 260 N -1.35 0.36 0.01 1.90 0.52 -0.22 -4.94 118.94 115.23 1rkx s TRP 260 Ca 0.30 -0.03 -0.17 0.00 0.02 0.00 0.00 56.10 56.22 1rkx s TRP 260 Cb -0.13 -0.39 -0.06 0.00 -1.15 0.00 0.00 33.47 31.73 1rkx s TRP 260 CO 0.17 -0.11 0.47 -0.80 0.02 0.00 0.00 176.95 176.70 1rkx s ASN 261 N 0.79 6.89 -0.05 2.95 0.02 -1.26 0.05 114.94 124.33 1rkx s ASN 261 Ca -0.08 1.05 0.00 0.00 -1.02 0.00 0.00 52.86 52.81 1rkx s ASN 261 Cb -0.11 -2.29 0.02 0.00 0.02 0.00 0.00 41.25 38.89 1rkx s ASN 261 CO -0.01 0.28 -0.03 -0.36 0.02 0.00 0.00 177.10 177.00 1rkx s PHE 262 N -0.92 0.67 0.18 2.20 0.40 -0.10 -4.53 117.98 115.87 1rkx s PHE 262 Ca 0.26 -0.17 -0.24 0.00 -0.60 0.00 0.00 56.93 56.18 1rkx s PHE 262 Cb -0.17 -0.67 0.07 0.00 0.51 0.00 0.00 43.02 42.76 1rkx s PHE 262 CO 0.15 -0.22 0.98 0.20 0.70 0.00 0.00 175.22 177.03 1rkx s GLY 263 N 1.22 -0.10 0.75 4.36 0.00 -1.26 -4.33 107.32 107.95 1rkx s GLY 263 Ca -0.07 -0.06 -0.12 0.00 0.00 0.00 0.00 44.72 44.48 1rkx s GLY 263 CO -0.02 0.68 1.12 2.56 0.00 0.00 0.00 173.10 177.45 1rkx s PRO 264 N -2.89 2.48 0.33 2.90 0.04 -1.26 -4.79 135.00 131.80 1rkx s PRO 264 Ca 0.15 0.36 -0.28 0.00 0.04 0.00 0.00 61.00 61.28 1rkx s PRO 264 Cb -0.02 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.44 1rkx s PRO 264 CO 0.04 -1.28 1.15 -0.80 0.04 0.00 0.00 177.00 176.15 1rkx s ASN 265 N -4.39 6.92 0.48 6.66 0.01 -1.26 -4.92 114.94 118.45 1rkx s ASN 265 Ca 0.60 2.35 0.13 0.00 -0.71 0.00 0.00 52.86 55.23 1rkx s ASN 265 Cb -0.11 -2.62 1.12 0.00 0.41 0.00 0.00 41.25 40.04 1rkx s ASN 265 CO 0.51 -0.39 2.10 -0.78 -1.51 0.00 0.00 177.10 177.03 1rkx h ASP 266 N 3.29 0.13 0.36 -1.22 -0.00 -1.95 -0.59 116.42 116.45 1rkx h ASP 266 Ca -0.48 -0.01 0.00 0.00 -0.00 0.00 0.00 57.03 56.55 1rkx h ASP 266 Cb 1.22 -0.03 0.00 0.00 -0.00 0.00 0.00 39.33 40.52 1rkx h ASP 266 CO 0.65 0.12 0.00 0.00 -0.00 0.00 0.00 179.24 180.01 1rkx h ALA 267 N 1.90 1.00 -0.00 -0.78 0.00 -2.05 -0.59 119.26 118.74 1rkx h ALA 267 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1rkx h ALA 267 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1rkx h ALA 267 CO -0.01 0.00 -0.33 -3.47 0.00 0.00 0.00 179.25 175.45 1rkx n ASP 268 N -2.58 0.51 -4.66 0.00 2.03 -0.23 -4.93 116.55 106.69 1rkx n ASP 268 Ca -0.01 -0.28 -0.49 0.00 0.52 0.00 0.00 54.79 54.53 1rkx n ASP 268 Cb 0.14 0.07 -0.05 0.00 -0.72 0.00 0.00 41.12 40.56 1rkx n ASP 268 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rkx n ALA 269 N -1.28 0.70 -2.79 -1.67 0.00 -0.23 -4.78 120.51 110.45 1rkx n ALA 269 Ca 0.08 0.40 -0.15 0.00 0.00 0.00 0.00 53.44 53.78 1rkx n ALA 269 Cb 0.33 -2.34 -0.14 0.00 0.00 0.00 0.00 19.45 17.31 1rkx n ALA 269 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1rkx s THR 270 N 2.01 0.45 0.58 0.00 2.01 -1.26 -5.08 115.64 114.35 1rkx s THR 270 Ca 0.86 -0.48 -0.14 0.00 0.31 0.00 0.00 61.69 62.24 1rkx s THR 270 Cb -0.76 -0.42 -0.05 0.00 0.01 0.00 0.00 72.50 71.28 1rkx s THR 270 CO 0.46 -0.03 1.02 -2.16 -0.69 0.00 0.00 174.62 173.22 1rkx s PRO 271 N -0.56 3.56 0.35 4.92 0.04 -1.26 -4.15 135.00 137.90 1rkx s PRO 271 Ca -0.02 0.98 0.03 0.00 0.04 0.00 0.00 61.00 62.03 1rkx s PRO 271 Cb -0.04 -2.08 0.65 0.00 0.04 0.00 0.00 34.50 33.08 1rkx s PRO 271 CO -0.00 -0.60 1.99 -0.39 0.04 0.00 0.00 177.00 178.04 1rkx h VAL 272 N 0.30 1.12 -0.64 -0.36 -1.51 -1.48 -1.78 116.25 111.90 1rkx h VAL 272 Ca -0.46 -0.29 0.06 0.00 -1.23 0.00 0.00 66.70 64.78 1rkx h VAL 272 Cb 1.20 0.19 -0.05 0.00 -2.13 0.00 0.00 31.29 30.50 1rkx h VAL 272 CO 0.60 0.15 0.34 0.50 -1.23 0.00 0.00 177.57 177.94 1rkx h LYS 273 N 0.85 0.62 -0.39 5.19 3.64 -1.73 0.32 116.57 125.06 1rkx h LYS 273 Ca 0.27 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.53 1rkx h LYS 273 Cb 0.03 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 1rkx h LYS 273 CO -0.07 0.41 -0.06 -0.97 -2.27 0.00 0.00 179.45 176.49 1rkx h ASN 274 N 0.64 0.74 -0.24 4.20 -0.00 -1.69 -1.54 115.58 117.69 1rkx h ASN 274 Ca 0.29 -0.34 0.02 0.00 -0.00 0.00 0.00 56.30 56.27 1rkx h ASN 274 Cb 0.19 -0.20 -0.02 0.00 -0.00 0.00 0.00 38.32 38.29 1rkx h ASN 274 CO -0.19 0.91 0.09 0.40 -0.00 0.00 0.00 177.43 178.63 1rkx h ILE 275 N 0.55 0.95 -0.48 2.57 2.04 -0.49 -0.96 117.51 121.68 1rkx h ILE 275 Ca 0.10 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.92 1rkx h ILE 275 Cb 0.57 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1rkx h ILE 275 CO 0.03 0.04 0.29 0.58 0.00 0.00 0.00 178.15 179.09 1rkx h VAL 276 N 0.20 1.06 -0.15 1.67 2.07 -0.29 -1.56 116.25 119.24 1rkx h VAL 276 Ca 0.10 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.45 1rkx h VAL 276 Cb 0.07 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 1rkx h VAL 276 CO -0.10 0.11 -0.01 -0.33 0.02 0.00 0.00 177.57 177.25 1rkx h GLU 277 N 0.58 0.04 -0.41 1.57 5.08 -0.79 0.11 114.58 120.76 1rkx h GLU 277 Ca 0.19 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1rkx h GLU 277 Cb 0.01 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1rkx h GLU 277 CO -0.08 0.02 0.26 1.96 -1.00 0.00 0.00 179.01 180.17 1rkx h GLN 278 N 0.04 0.54 -0.62 2.33 4.20 -0.96 -1.22 115.11 119.41 1rkx h GLN 278 Ca 0.07 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 1rkx h GLN 278 Cb 0.09 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 1rkx h GLN 278 CO -0.13 0.37 0.19 0.52 -0.67 0.00 0.00 178.83 179.11 1rkx h MET 279 N 0.55 0.94 -0.55 1.46 2.86 -0.98 0.19 114.93 119.40 1rkx h MET 279 Ca 0.15 -0.18 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1rkx h MET 279 Cb -0.05 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.44 1rkx h MET 279 CO -0.03 0.80 0.22 0.28 1.06 0.00 0.00 176.91 179.25 1rkx h VAL 280 N 0.91 1.22 -0.55 -2.22 2.07 -0.39 0.11 116.25 117.39 1rkx h VAL 280 Ca 0.20 -0.68 -0.10 0.00 0.82 0.00 0.00 66.70 66.94 1rkx h VAL 280 Cb 0.26 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1rkx h VAL 280 CO -0.01 0.26 -0.06 0.11 0.02 0.00 0.00 177.57 177.89 1rkx h LYS 281 N 0.75 0.99 -0.54 1.57 1.57 -0.65 0.77 116.57 121.03 1rkx h LYS 281 Ca 0.18 -0.33 -0.12 0.00 -1.87 0.00 0.00 60.65 58.51 1rkx h LYS 281 Cb 0.20 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1rkx h LYS 281 CO -0.02 1.01 -0.13 1.88 -0.57 0.00 0.00 179.45 181.63 1rkx h TYR 282 N 0.90 1.17 0.32 -1.35 0.99 -0.30 -3.28 116.97 115.41 1rkx h TYR 282 Ca 0.15 -0.25 -0.02 0.00 2.00 0.00 0.00 58.73 60.62 1rkx h TYR 282 Cb 0.60 -0.29 0.00 0.00 1.00 0.00 0.00 36.73 38.05 1rkx h TYR 282 CO 0.04 1.08 -0.15 2.35 -0.00 0.00 0.00 178.16 181.48 1rkx h TRP 283 N 0.92 -0.39 0.00 4.88 2.91 -0.64 -3.49 115.95 120.12 1rkx h TRP 283 Ca 0.14 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.15 1rkx h TRP 283 Cb 0.70 0.13 0.00 0.00 -0.51 0.00 0.00 29.16 29.48 1rkx h TRP 283 CO 0.05 -0.13 0.00 0.41 -1.03 0.00 0.00 178.44 177.74 1rkx n GLY 284 N 0.47 0.77 3.64 2.65 0.00 0.25 -4.97 105.19 108.00 1rkx n GLY 284 Ca -0.07 -1.64 -0.51 0.00 0.00 0.00 0.00 46.02 43.79 1rkx n GLY 284 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rkx n GLU 285 N 0.49 1.49 -0.09 1.61 1.02 -1.26 -1.64 120.64 122.26 1rkx n GLU 285 Ca 0.00 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.68 1rkx n GLU 285 Cb 0.00 -2.24 0.00 0.00 -0.02 0.00 0.00 31.44 29.18 1rkx n GLU 285 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rkx n GLY 286 N 3.28 0.95 3.04 0.62 0.00 -1.26 -5.07 105.19 106.74 1rkx n GLY 286 Ca 0.20 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 1rkx n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rkx s ALA 287 N -2.00 1.16 0.25 4.61 0.00 -0.65 -4.29 121.76 120.83 1rkx s ALA 287 Ca 0.00 -0.45 -0.21 0.00 0.00 0.00 0.00 51.96 51.31 1rkx s ALA 287 Cb 0.00 -0.45 0.06 0.00 0.00 0.00 0.00 23.12 22.74 1rkx s ALA 287 CO 0.00 0.17 0.93 -1.54 0.00 0.00 0.00 175.76 175.32 1rkx s SER 288 N 0.30 -0.04 0.15 0.00 1.04 -1.26 -4.91 113.70 108.99 1rkx s SER 288 Ca -0.07 -0.77 -0.24 0.00 0.48 0.00 0.00 55.95 55.36 1rkx s SER 288 Cb -0.12 0.62 0.06 0.00 0.10 0.00 0.00 66.02 66.68 1rkx s SER 288 CO 0.02 -1.21 0.73 -1.66 0.98 0.00 0.00 173.24 172.10 1rkx s TRP 289 N -2.50 -0.37 -0.45 5.02 -2.14 -1.26 -2.16 118.94 115.08 1rkx s TRP 289 Ca 0.18 0.11 0.07 0.00 2.66 0.00 0.00 56.10 59.12 1rkx s TRP 289 Cb -0.03 0.60 0.30 0.00 -3.10 0.00 0.00 33.47 31.23 1rkx s TRP 289 CO 0.07 -0.88 0.94 1.04 -2.66 0.00 0.00 176.95 175.46 1rkx n GLN 290 N -0.38 0.92 -0.81 3.25 6.02 -1.01 -4.92 117.38 120.44 1rkx n GLN 290 Ca -0.11 -2.24 -0.32 0.00 -0.01 0.00 0.00 57.00 54.32 1rkx n GLN 290 Cb 0.62 -1.28 0.02 0.00 1.02 0.00 0.00 30.24 30.63 1rkx n GLN 290 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1rkx n HIS 301 N 0.79 -1.10 -3.63 1.08 1.44 -1.26 -2.86 115.22 109.67 1rkx n HIS 301 Ca 0.11 0.54 -0.15 0.00 -2.01 0.00 0.00 57.72 56.21 1rkx n HIS 301 Cb 0.66 -1.12 -0.07 0.00 0.12 0.00 0.00 29.99 29.58 1rkx n HIS 301 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1rkx s TYR 302 N -1.62 -0.41 0.05 -1.40 -0.85 -1.26 -5.00 117.35 106.86 1rkx s TYR 302 Ca 0.29 0.66 -0.30 0.00 -0.52 0.00 0.00 57.07 57.19 1rkx s TYR 302 Cb 0.08 0.26 -0.08 0.00 0.38 0.00 0.00 41.96 42.60 1rkx s TYR 302 CO 0.54 -0.52 1.78 -1.17 -1.52 0.00 0.00 175.55 174.66 1rkx s LEU 303 N -1.36 4.39 0.15 -3.49 1.98 -1.26 -4.87 118.68 114.21 1rkx s LEU 303 Ca -0.11 2.56 -0.07 0.00 -2.89 0.00 0.00 54.13 53.62 1rkx s LEU 303 Cb -0.02 -3.55 -0.02 0.00 0.66 0.00 0.00 46.19 43.26 1rkx s LEU 303 CO 0.06 -0.97 0.22 -1.59 -1.89 0.00 0.00 176.35 172.18 1rkx s LYS 304 N 3.39 1.09 0.10 1.98 -2.85 -1.26 -4.64 119.74 117.55 1rkx s LYS 304 Ca 0.80 -1.25 0.10 0.00 -1.00 0.00 0.00 55.97 54.62 1rkx s LYS 304 Cb -0.41 0.34 -0.04 0.00 -2.06 0.00 0.00 37.83 35.66 1rkx s LYS 304 CO 0.35 -0.37 -0.27 -0.51 0.10 0.00 0.00 175.35 174.65 1rkx s LEU 305 N -2.99 2.28 -0.30 2.77 1.43 -1.26 -1.37 118.68 119.24 1rkx s LEU 305 Ca 0.19 -0.70 -0.16 0.00 -1.03 0.00 0.00 54.13 52.43 1rkx s LEU 305 Cb 0.05 -1.24 -0.02 0.00 0.03 0.00 0.00 46.19 45.00 1rkx s LEU 305 CO 0.01 0.20 0.43 -0.62 0.23 0.00 0.00 176.35 176.60 1rkx s ASP 306 N -1.82 6.29 -0.44 2.29 -1.08 -0.17 -4.69 116.67 117.06 1rkx s ASP 306 Ca 0.13 0.18 0.04 0.00 -0.52 0.00 0.00 52.55 52.39 1rkx s ASP 306 Cb -0.10 -2.23 0.54 0.00 -1.46 0.00 0.00 42.92 39.66 1rkx s ASP 306 CO 0.05 -0.29 1.71 0.00 0.52 0.00 0.00 175.17 177.16 1rkx h SER 308 N 1.40 0.53 -0.06 0.00 0.02 -1.92 -2.78 113.55 110.74 1rkx h SER 308 Ca 0.46 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1rkx h SER 308 Cb 1.79 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 64.19 1rkx h SER 308 CO 0.96 0.67 0.03 0.50 -1.14 0.00 0.00 176.83 177.85 1rkx h LYS 309 N 0.51 0.10 -0.81 3.45 3.64 -1.92 -0.09 116.57 121.45 1rkx h LYS 309 Ca 0.10 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1rkx h LYS 309 Cb 0.49 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.24 1rkx h LYS 309 CO 0.03 0.22 0.52 0.00 -2.27 0.00 0.00 179.45 177.94 1rkx h ALA 310 N 0.88 1.05 0.33 5.00 0.00 -1.78 -0.02 119.26 124.72 1rkx h ALA 310 Ca 0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1rkx h ALA 310 Cb 0.15 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1rkx h ALA 310 CO -0.00 0.37 -0.16 -0.22 0.00 0.00 0.00 179.25 179.23 1rkx h LYS 311 N 1.03 -0.43 -0.31 0.00 3.64 -1.26 -0.31 116.57 118.93 1rkx h LYS 311 Ca 0.31 0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.56 1rkx h LYS 311 Cb -0.04 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1rkx h LYS 311 CO -0.10 -0.17 -0.44 0.52 -2.27 0.00 0.00 179.45 176.99 1rkx h MET 312 N -0.64 0.79 0.00 1.90 2.86 -0.91 -1.32 114.93 117.60 1rkx h MET 312 Ca -0.05 -0.44 -0.22 0.00 -2.06 0.00 0.00 59.70 56.93 1rkx h MET 312 Cb 0.46 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.11 1rkx h MET 312 CO 0.08 1.07 -1.98 1.04 1.06 0.00 0.00 176.91 178.17 1rkx n GLN 313 N -4.03 0.66 -0.00 1.72 6.02 -0.03 -4.49 117.38 117.23 1rkx n GLN 313 Ca -0.03 0.03 0.07 0.00 -0.01 0.00 0.00 57.00 57.07 1rkx n GLN 313 Cb 0.56 -1.62 -0.10 0.00 1.02 0.00 0.00 30.24 30.10 1rkx n GLN 313 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1rkx n LEU 314 N -2.69 0.24 -0.55 1.08 4.77 -0.18 -4.97 117.00 114.70 1rkx n LEU 314 Ca -0.19 -0.18 -0.06 0.00 -0.03 0.00 0.00 56.01 55.55 1rkx n LEU 314 Cb 0.93 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.99 1rkx n LEU 314 CO 0.44 0.06 -0.07 0.61 -1.33 0.00 0.00 177.39 177.10 1rkx n GLY 315 N 1.54 0.69 3.86 -0.72 0.00 -0.50 -4.99 105.19 105.07 1rkx n GLY 315 Ca -0.01 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 1rkx n GLY 315 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1rkx s TRP 316 N -2.26 3.45 -0.23 1.61 -0.00 -0.97 -4.96 118.94 115.57 1rkx s TRP 316 Ca 0.00 1.27 -0.27 0.00 -0.00 0.00 0.00 56.10 57.10 1rkx s TRP 316 Cb 0.00 -2.63 0.13 0.00 -0.00 0.00 0.00 33.47 30.98 1rkx s TRP 316 CO 0.00 -0.22 1.07 -3.38 -0.00 0.00 0.00 176.95 174.42 1rkx s HIS 317 N -2.47 -0.38 0.96 5.86 -3.43 -1.26 -3.93 115.29 110.64 1rkx s HIS 317 Ca 0.55 0.81 -0.11 0.00 -0.80 0.00 0.00 55.06 55.51 1rkx s HIS 317 Cb -0.10 0.41 0.17 0.00 -1.43 0.00 0.00 32.58 31.63 1rkx s HIS 317 CO 0.30 -0.25 1.10 -2.14 -2.00 0.00 0.00 174.74 171.75 1rkx s PRO 318 N -0.37 0.72 0.00 -0.38 0.02 -1.26 -5.00 135.00 128.73 1rkx s PRO 318 Ca 0.02 1.19 0.00 0.00 0.02 0.00 0.00 61.00 62.23 1rkx s PRO 318 Cb -0.03 -1.72 0.00 0.00 0.02 0.00 0.00 34.50 32.77 1rkx s PRO 318 CO -0.04 -2.72 0.00 0.54 -0.33 0.00 0.00 177.00 174.45 1rkx n ARG 319 N -4.26 3.02 -4.84 5.54 1.74 -1.26 -5.06 116.66 111.55 1rkx n ARG 319 Ca 0.08 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.84 1rkx n ARG 319 Cb 0.53 -0.92 -0.14 0.00 -1.02 0.00 0.00 32.46 30.91 1rkx n ARG 319 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1rkx s TRP 320 N -1.83 2.76 0.75 -1.55 0.51 -1.26 -5.00 118.94 113.31 1rkx s TRP 320 Ca 0.00 -0.44 -0.11 0.00 -2.12 0.00 0.00 56.10 53.43 1rkx s TRP 320 Cb 0.00 -1.75 0.04 0.00 -0.81 0.00 0.00 33.47 30.95 1rkx s TRP 320 CO 0.00 -0.04 1.10 0.54 -0.51 0.00 0.00 176.95 178.04 1rkx s ASN 321 N -0.12 5.02 0.29 2.95 2.20 -1.26 -4.84 114.94 119.18 1rkx s ASN 321 Ca -0.01 1.19 0.01 0.00 -0.94 0.00 0.00 52.86 53.11 1rkx s ASN 321 Cb -0.14 -1.94 0.55 0.00 -2.00 0.00 0.00 41.25 37.72 1rkx s ASN 321 CO 0.03 -1.62 1.87 0.25 -2.94 0.00 0.00 177.10 174.69 1rkx h LEU 322 N -0.85 0.91 0.28 3.54 5.85 -1.91 -1.98 115.31 121.16 1rkx h LEU 322 Ca -0.46 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 1rkx h LEU 322 Cb 1.26 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 1rkx h LEU 322 CO 0.62 0.53 -0.25 0.78 -0.34 0.00 0.00 178.44 179.78 1rkx h ASN 323 N 1.00 -0.65 -0.59 1.25 2.35 -1.96 0.16 115.58 117.15 1rkx h ASN 323 Ca 0.46 0.06 0.07 0.00 -0.55 0.00 0.00 56.30 56.34 1rkx h ASN 323 Cb 0.39 0.22 -0.06 0.00 0.05 0.00 0.00 38.32 38.92 1rkx h ASN 323 CO -0.21 -0.37 0.26 0.74 -1.65 0.00 0.00 177.43 176.20 1rkx h THR 324 N -0.55 0.86 -0.22 2.81 2.02 -1.86 -0.50 112.91 115.47 1rkx h THR 324 Ca -0.01 -0.17 0.02 0.00 0.77 0.00 0.00 66.41 67.02 1rkx h THR 324 Cb 0.49 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1rkx h THR 324 CO -0.03 0.09 0.08 0.74 0.37 0.00 0.00 175.52 176.76 1rkx h THR 325 N 0.48 0.95 -0.69 3.16 2.02 -0.92 -1.39 112.91 116.52 1rkx h THR 325 Ca 0.28 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.37 1rkx h THR 325 Cb 0.27 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1rkx h THR 325 CO -0.24 0.03 0.33 -0.07 0.37 0.00 0.00 175.52 175.95 1rkx h LEU 326 N 0.19 0.89 -0.23 2.58 3.38 -0.03 -0.64 115.31 121.43 1rkx h LEU 326 Ca 0.10 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1rkx h LEU 326 Cb 0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1rkx h LEU 326 CO -0.10 0.75 0.12 -0.33 0.09 0.00 0.00 178.44 178.97 1rkx h GLU 327 N 0.98 0.33 -0.07 1.13 5.08 -0.62 -1.42 114.58 120.00 1rkx h GLU 327 Ca 0.24 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.48 1rkx h GLU 327 Cb 0.10 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1rkx h GLU 327 CO -0.03 0.33 -0.29 1.88 -1.00 0.00 0.00 179.01 179.90 1rkx h TYR 328 N 0.26 0.13 0.01 4.33 0.05 -0.91 0.67 116.97 121.50 1rkx h TYR 328 Ca 0.08 -0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.84 1rkx h TYR 328 Cb 0.10 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.81 1rkx h TYR 328 CO -0.03 0.40 -0.00 0.82 -1.05 0.00 0.00 178.16 178.30 1rkx h ILE 329 N 0.11 1.10 -0.67 -2.88 1.08 -0.71 0.10 117.51 115.63 1rkx h ILE 329 Ca 0.02 -0.31 -0.02 0.00 -0.39 0.00 0.00 64.86 64.15 1rkx h ILE 329 Cb 0.57 1.31 -0.03 0.00 -3.07 0.00 0.00 36.82 35.60 1rkx h ILE 329 CO 0.04 0.08 0.34 0.58 -0.69 0.00 0.00 178.15 178.50 1rkx h VAL 330 N -0.14 1.22 -0.27 1.67 2.07 -0.84 -1.51 116.25 118.45 1rkx h VAL 330 Ca -0.00 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 66.93 1rkx h VAL 330 Cb 0.14 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1rkx h VAL 330 CO 0.00 0.25 0.17 1.23 0.02 0.00 0.00 177.57 179.24 1rkx h GLY 331 N 0.93 0.37 1.00 2.17 0.00 -0.65 0.30 103.07 107.19 1rkx h GLY 331 Ca 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1rkx h GLY 331 CO -0.03 0.13 0.04 -0.25 0.00 0.00 0.00 176.54 176.42 1rkx h TRP 332 N 0.35 0.07 -0.31 5.60 7.01 -0.56 -1.85 115.95 126.26 1rkx h TRP 332 Ca 0.10 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.06 1rkx h TRP 332 Cb -0.03 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.00 1rkx h TRP 332 CO -0.06 0.05 0.02 1.25 -2.79 0.00 0.00 178.44 176.90 1rkx h HIS 333 N 0.07 0.58 -0.74 2.65 2.76 -1.09 -1.26 115.15 118.13 1rkx h HIS 333 Ca 0.02 -0.09 -0.02 0.00 -2.20 0.00 0.00 60.37 58.08 1rkx h HIS 333 Cb -0.00 -0.15 -0.04 0.00 1.55 0.00 0.00 27.41 28.77 1rkx h HIS 333 CO -0.07 0.65 0.39 0.87 -1.30 0.00 0.00 177.93 178.46 1rkx h LYS 334 N 0.34 1.03 -0.44 5.26 1.57 -0.93 -1.65 116.57 121.74 1rkx h LYS 334 Ca 0.09 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 1rkx h LYS 334 Cb 0.41 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1rkx h LYS 334 CO 0.01 0.77 -0.06 -0.91 -0.57 0.00 0.00 179.45 178.69 1rkx h ASN 335 N 1.03 0.74 0.05 0.86 4.21 -1.16 -0.84 115.58 120.47 1rkx h ASN 335 Ca 0.26 -0.20 -0.00 0.00 1.21 0.00 0.00 56.30 57.57 1rkx h ASN 335 Cb 0.05 -0.20 -0.00 0.00 -1.12 0.00 0.00 38.32 37.05 1rkx h ASN 335 CO -0.04 0.85 -0.03 -0.25 -1.29 0.00 0.00 177.43 176.67 1rkx h TRP 336 N 0.70 -0.09 -0.01 1.19 7.01 -0.43 -1.83 115.95 122.49 1rkx h TRP 336 Ca 0.13 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.12 1rkx h TRP 336 Cb 0.52 0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 27.61 1rkx h TRP 336 CO 0.03 -0.05 -0.04 -0.07 -2.79 0.00 0.00 178.44 175.51 1rkx h LEU 337 N -0.09 0.01 -0.02 0.65 3.38 -1.04 -2.12 115.31 116.08 1rkx h LEU 337 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rkx h LEU 337 Cb 0.07 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1rkx h LEU 337 CO 0.00 0.06 0.00 -1.20 0.09 0.00 0.00 178.44 177.39 1rkx n SER 338 N -4.48 0.13 0.00 -0.43 7.64 -0.35 -4.92 113.62 111.21 1rkx n SER 338 Ca -0.03 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.37 1rkx n SER 338 Cb 0.13 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 1rkx n SER 338 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rkx n GLY 339 N 1.20 0.79 3.77 0.23 0.00 -0.80 -5.07 105.19 105.31 1rkx n GLY 339 Ca 0.06 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 1rkx n GLY 339 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rkx s THR 340 N -2.00 3.13 -0.49 2.61 2.01 -0.81 -4.92 115.64 115.17 1rkx s THR 340 Ca 0.00 0.67 -0.28 0.00 0.31 0.00 0.00 61.69 62.39 1rkx s THR 340 Cb 0.00 -3.24 -0.01 0.00 0.01 0.00 0.00 72.50 69.26 1rkx s THR 340 CO 0.00 -0.19 1.72 -0.62 -0.69 0.00 0.00 174.62 174.84 1rkx s ASP 341 N -1.91 5.72 0.08 3.53 -1.08 -1.26 -4.81 116.67 116.93 1rkx s ASP 341 Ca 0.72 0.68 0.24 0.00 -0.52 0.00 0.00 52.55 53.67 1rkx s ASP 341 Cb -0.24 -2.53 0.96 0.00 -1.46 0.00 0.00 42.92 39.65 1rkx s ASP 341 CO 0.30 -1.96 1.75 0.23 0.52 0.00 0.00 175.17 176.02 1rkx n MET 342 N 8.75 0.08 0.03 4.34 2.81 -1.26 -1.62 117.12 130.26 1rkx n MET 342 Ca 0.19 0.16 -0.12 0.00 -1.81 0.00 0.00 57.70 56.13 1rkx n MET 342 Cb 0.49 -1.61 -0.09 0.00 -0.71 0.00 0.00 33.22 31.30 1rkx n MET 342 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1rkx h HIS 343 N 0.00 -0.14 -0.52 2.03 -0.00 -1.74 -1.65 115.15 113.14 1rkx h HIS 343 Ca 0.00 -0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 60.26 1rkx h HIS 343 Cb 0.47 0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 27.91 1rkx h HIS 343 CO 0.00 0.35 -0.10 0.93 -0.00 0.00 0.00 177.93 179.11 1rkx h GLU 344 N -0.74 0.96 -0.65 5.26 4.39 -1.88 -2.04 114.58 119.88 1rkx h GLU 344 Ca -0.02 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1rkx h GLU 344 Cb 0.55 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 1rkx h GLU 344 CO 0.03 1.00 0.41 -0.92 -1.16 0.00 0.00 179.01 178.36 1rkx h TYR 345 N 0.86 0.84 -0.30 4.33 3.20 -1.36 -1.09 116.97 123.45 1rkx h TYR 345 Ca 0.14 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.92 1rkx h TYR 345 Cb 0.64 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 1rkx h TYR 345 CO 0.04 0.55 -0.19 0.77 -1.64 0.00 0.00 178.16 177.69 1rkx h SER 346 N 0.88 0.54 -0.52 -2.11 0.02 -1.12 -1.12 113.55 110.12 1rkx h SER 346 Ca 0.23 -0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 1rkx h SER 346 Cb -0.06 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1rkx h SER 346 CO -0.05 0.75 0.12 0.40 -1.14 0.00 0.00 176.83 176.91 1rkx h ILE 347 N 0.49 1.24 -0.34 3.27 1.08 -0.85 -1.71 117.51 120.69 1rkx h ILE 347 Ca 0.08 -0.87 -0.07 0.00 -0.39 0.00 0.00 64.86 63.61 1rkx h ILE 347 Cb 0.61 0.81 -0.02 0.00 -3.07 0.00 0.00 36.82 35.16 1rkx h ILE 347 CO 0.04 0.32 -0.08 0.74 -0.69 0.00 0.00 178.15 178.48 1rkx h THR 348 N 0.73 1.23 -0.61 -0.27 2.02 -0.88 -0.95 112.91 114.18 1rkx h THR 348 Ca 0.16 -0.98 -0.03 0.00 0.77 0.00 0.00 66.41 66.33 1rkx h THR 348 Cb 0.34 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 1rkx h THR 348 CO 0.00 0.33 0.25 -0.08 0.37 0.00 0.00 175.52 176.40 1rkx h GLU 349 N 0.53 0.90 -0.69 6.66 4.81 -0.73 0.18 114.58 126.24 1rkx h GLU 349 Ca 0.10 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1rkx h GLU 349 Cb 0.46 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 1rkx h GLU 349 CO 0.02 0.76 0.32 0.82 -0.73 0.00 0.00 179.01 180.21 1rkx h ILE 350 N 0.84 1.23 -0.70 2.32 2.04 -0.81 -1.22 117.51 121.21 1rkx h ILE 350 Ca 0.20 -0.67 -0.05 0.00 1.00 0.00 0.00 64.86 65.35 1rkx h ILE 350 Cb 0.19 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 1rkx h ILE 350 CO -0.02 0.28 0.25 0.78 0.00 0.00 0.00 178.15 179.44 1rkx h ASN 351 N 0.97 0.99 -0.93 1.72 2.35 -0.56 -0.44 115.58 119.69 1rkx h ASN 351 Ca 0.24 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1rkx h ASN 351 Cb 0.13 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.20 1rkx h ASN 351 CO -0.03 0.91 0.56 0.78 -1.65 0.00 0.00 177.43 178.01 1rkx h ASN 352 N 1.01 1.12 -0.02 5.81 -0.26 -0.25 0.42 115.58 123.41 1rkx h ASN 352 Ca 0.23 -0.07 -0.00 0.00 -0.56 0.00 0.00 56.30 55.90 1rkx h ASN 352 Cb 0.26 -0.28 -0.00 0.00 -1.06 0.00 0.00 38.32 37.23 1rkx h ASN 352 CO -0.01 0.86 0.00 0.22 -1.06 0.00 0.00 177.43 177.44 1rkx h TYR 353 N 1.29 0.04 -0.74 1.19 3.20 -0.78 -2.32 116.97 118.84 1rkx h TYR 353 Ca 0.33 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.29 1rkx h TYR 353 Cb -0.05 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.16 1rkx h TYR 353 CO 0.01 0.27 0.49 0.52 -1.64 0.00 0.00 178.16 177.81 1rkx h MET 354 N -0.21 0.66 0.00 1.82 2.86 -0.64 -1.27 114.93 118.14 1rkx h MET 354 Ca 0.01 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1rkx h MET 354 Cb 0.26 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 1rkx h MET 354 CO 0.00 0.44 -0.14 -0.91 1.06 0.00 0.00 176.91 177.36 1rkx h ASN 355 N 0.68 0.00 -2.19 1.22 2.35 -0.68 -3.45 115.58 113.51 1rkx h ASN 355 Ca 0.34 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.52 1rkx h ASN 355 Cb 0.41 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.80 1rkx h ASN 355 CO -0.12 0.14 1.24 0.41 -1.65 0.00 0.00 177.43 177.45 1rkx n THR 356 N -3.25 0.66 -0.34 2.81 -1.04 -0.48 -5.09 114.28 107.55 1rkx n THR 356 Ca 0.01 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1rkx n THR 356 Cb 0.42 -2.22 0.00 0.00 -1.82 0.00 0.00 70.33 66.71 1rkx n THR 356 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72